N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine

C17H35N — CID 63944923

IUPACN-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCCCCC(CC)NC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H35N/c1-6-8-9-15(7-2)18-17-12-14(5)10-11-16(17)13(3)4/h13-18H,6-12H2,1-5H3
InChIKeyXWCVRHUOPWXFRQ-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds7

About N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 63944923) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID63944923
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCCCCC(CC)NC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H35N/c1-6-8-9-15(7-2)18-17-12-14(5)10-11-16(17)13(3)4/h13-18H,6-12H2,1-5H3
InChIKeyXWCVRHUOPWXFRQ-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 115723128
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
CID 64734397
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide
CID 61383803
2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane
CID 174606217
N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine
CID 106800782
4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 106348971
N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715916
2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
CID 113250248
1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-amine
CID 115720105

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 63944923) is N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine is CCCCC(CC)NC1CC(C)CCC1C(C)C.
What is the InChIKey of N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is XWCVRHUOPWXFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-8-9-15(7-2)18-17-12-14(5)10-11-16(17)13(3)4/h13-18H,6-12H2,1-5H3.
What are the key properties of N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63944923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).