1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine

C43H93N7 — CID 157296344

IUPAC1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/2C11H24N2.C11H23N.C10H22N2/c1-9(2)12-11-5-7-13(8-6-11)10(3)4;1-10(2)12-6-5-7-13(9-8-12)11(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyBBJVGINUUOMNAQ-UHFFFAOYSA-N
MW708.27 g/mol
LogP7.85
Rot. Bonds9

About 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine

1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine (PubChem CID 157296344) has the molecular formula C43H93N7 and a molecular weight of 708.27 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine
PubChem CID157296344
Molecular FormulaC43H93N7
Molecular Weight708.27 g/mol
Exact Mass707.75
IUPAC Name1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/2C11H24N2.C11H23N.C10H22N2/c1-9(2)12-11-5-7-13(8-6-11)10(3)4;1-10(2)12-6-5-7-13(9-8-12)11(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyBBJVGINUUOMNAQ-UHFFFAOYSA-N
XLogP7.85
TPSA31.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.27
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine?
The IUPAC name of 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine (CID 157296344) is 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine is CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)NC1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine?
The InChIKey is BBJVGINUUOMNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24N2.C11H23N.C10H22N2/c1-9(2)12-11-5-7-13(8-6-11)10(3)4;1-10(2)12-6-5-7-13(9-8-12)11(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine?
1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine has a molecular weight of 708.27 g/mol, XLogP of 7.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 157296344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).