N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane

C44H84N4 — CID 163919469

IUPACN,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)C=C1CC2(CCN(C(C)C)CC2)C1.CC(C)CC1CC2(CCN(C(C)C)CC2)C1.CC(C)NC1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N.C15H27N.C14H28N2/c2*1-12(2)9-14-10-15(11-14)5-7-16(8-6-15)13(3)4;1-11(2)15-13-9-14(10-13)5-7-16(8-6-14)12(3)4/h12-14H,5-11H2,1-4H3;9,12-13H,5-8,10-11H2,1-4H3;11-13,15H,5-10H2,1-4H3
InChIKeyQZDXVTRFGURSNB-UHFFFAOYSA-N
MW669.18 g/mol
LogP10.42
Rot. Bonds8

About N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane

N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 163919469) has the molecular formula C44H84N4 and a molecular weight of 669.18 g/mol. Its IUPAC name is N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound NameN,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID163919469
Molecular FormulaC44H84N4
Molecular Weight669.18 g/mol
Exact Mass668.67
IUPAC NameN,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)C=C1CC2(CCN(C(C)C)CC2)C1.CC(C)CC1CC2(CCN(C(C)C)CC2)C1.CC(C)NC1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N.C15H27N.C14H28N2/c2*1-12(2)9-14-10-15(11-14)5-7-16(8-6-15)13(3)4;1-11(2)15-13-9-14(10-13)5-7-16(8-6-14)12(3)4/h12-14H,5-11H2,1-4H3;9,12-13H,5-8,10-11H2,1-4H3;11-13,15H,5-10H2,1-4H3
InChIKeyQZDXVTRFGURSNB-UHFFFAOYSA-N
XLogP10.42
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.18
LogP ≤ 510.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane (CID 163919469) is N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane is CC(C)C=C1CC2(CCN(C(C)C)CC2)C1.CC(C)CC1CC2(CCN(C(C)C)CC2)C1.CC(C)NC1CC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is QZDXVTRFGURSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.C15H27N.C14H28N2/c2*1-12(2)9-14-10-15(11-14)5-7-16(8-6-15)13(3)4;1-11(2)15-13-9-14(10-13)5-7-16(8-6-14)12(3)4/h12-14H,5-11H2,1-4H3;9,12-13H,5-8,10-11H2,1-4H3;11-13,15H,5-10H2,1-4H3.
What are the key properties of N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 669.18 g/mol, XLogP of 10.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 163919469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).