N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine

C34H65N — CID 134369025

IUPACN-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
SMILESCCC(C)(C)C1CCCCC(N(C2CCCCCC2)C2CCCC(C(C)(C)CC)CCC2)CCC1
InChIInChI=1S/C34H65N/c1-7-33(3,4)28-18-13-14-24-31(25-15-19-28)35(30-22-11-9-10-12-23-30)32-26-16-20-29(21-17-27-32)34(5,6)8-2/h28-32H,7-27H2,1-6H3
InChIKeyMVCYZADHXPVUOA-UHFFFAOYSA-N
MW487.90 g/mol
LogP10.95
Rot. Bonds7

About N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine

N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine (PubChem CID 134369025) has the molecular formula C34H65N and a molecular weight of 487.90 g/mol. Its IUPAC name is N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine.

Molecular Properties

Compound NameN-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
PubChem CID134369025
Molecular FormulaC34H65N
Molecular Weight487.90 g/mol
Exact Mass487.51
IUPAC NameN-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
SMILESCCC(C)(C)C1CCCCC(N(C2CCCCCC2)C2CCCC(C(C)(C)CC)CCC2)CCC1
InChIInChI=1S/C34H65N/c1-7-33(3,4)28-18-13-14-24-31(25-15-19-28)35(30-22-11-9-10-12-23-30)32-26-16-20-29(21-17-27-32)34(5,6)8-2/h28-32H,7-27H2,1-6H3
InChIKeyMVCYZADHXPVUOA-UHFFFAOYSA-N
XLogP10.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.90
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
CID 54153860
N,N-dicyclohexylcyclohexanamine
CID 175770337
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
CID 100913906
CID 100913906
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
3-methylpentan-3-ylcycloundecane
CID 123467319
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
2-cycloheptyl-2-methylpropan-1-ol
CID 82936558
N-methyl-N-(2-methylbutan-2-yl)cyclohexanamine
CID 126515554
N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63448545
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine?
The IUPAC name of N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine (CID 134369025) is N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine.
What is the SMILES notation for N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine?
The canonical SMILES for N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine is CCC(C)(C)C1CCCCC(N(C2CCCCCC2)C2CCCC(C(C)(C)CC)CCC2)CCC1.
What is the InChIKey of N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine?
The InChIKey is MVCYZADHXPVUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H65N/c1-7-33(3,4)28-18-13-14-24-31(25-15-19-28)35(30-22-11-9-10-12-23-30)32-26-16-20-29(21-17-27-32)34(5,6)8-2/h28-32H,7-27H2,1-6H3.
What are the key properties of N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine?
N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine has a molecular weight of 487.90 g/mol, XLogP of 10.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine is sourced from PubChem (CID 134369025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).