1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane

C11H24N2 — CID 143841678

IUPAC1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCN(C)CC(C)(C)C1
InChIInChI=1S/C11H24N2/c1-10(2)13-7-6-12(5)8-11(3,4)9-13/h10H,6-9H2,1-5H3
InChIKeyRCXVDEWISUVPTP-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.67
Rot. Bonds1

About 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane

1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane (PubChem CID 143841678) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane
PubChem CID143841678
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCN(C)CC(C)(C)C1
InChIInChI=1S/C11H24N2/c1-10(2)13-7-6-12(5)8-11(3,4)9-13/h10H,6-9H2,1-5H3
InChIKeyRCXVDEWISUVPTP-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methyl-4-propan-2-ylpiperazine
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3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
1,3,3,5,7,7-hexamethyl-1,5-diazonane
CID 167025577
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
2,2,4-trimethyl-1-propan-2-ylpiperazine
CID 121368614
carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)
CID 163857850
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256

Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane?
The IUPAC name of 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane (CID 143841678) is 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane is CC(C)N1CCN(C)CC(C)(C)C1.
What is the InChIKey of 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane?
The InChIKey is RCXVDEWISUVPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2)13-7-6-12(5)8-11(3,4)9-13/h10H,6-9H2,1-5H3.
What are the key properties of 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane?
1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane has a molecular weight of 184.33 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-4-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 143841678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).