N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine

C19H37N — CID 81389643

IUPACN-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N[C@@H](C)C2CCCCCC2)CC1
InChIInChI=1S/C19H37N/c1-15(2)17-11-8-12-19(14-13-17)20-16(3)18-9-6-4-5-7-10-18/h15-20H,4-14H2,1-3H3/t16-,17?,19?/m0/s1
InChIKeyQQCNKMVZFGOFJN-MUYFXNHWSA-N
MW279.51 g/mol
LogP5.54
Rot. Bonds4

About N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine

N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 81389643) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID81389643
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N[C@@H](C)C2CCCCCC2)CC1
InChIInChI=1S/C19H37N/c1-15(2)17-11-8-12-19(14-13-17)20-16(3)18-9-6-4-5-7-10-18/h15-20H,4-14H2,1-3H3/t16-,17?,19?/m0/s1
InChIKeyQQCNKMVZFGOFJN-MUYFXNHWSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091327
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115
N-(1-cyclohexylethyl)-4-ethylcycloheptan-1-amine
CID 65083125
4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
CID 81385078
4-(1-cyclobutylethylamino)cyclohexan-1-ol
CID 103775411
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
N-cyclopentyl-4-propan-2-ylcyclohexan-1-amine
CID 58841003

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine (CID 81389643) is N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(N[C@@H](C)C2CCCCCC2)CC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is QQCNKMVZFGOFJN-MUYFXNHWSA-N. The full InChI is InChI=1S/C19H37N/c1-15(2)17-11-8-12-19(14-13-17)20-16(3)18-9-6-4-5-7-10-18/h15-20H,4-14H2,1-3H3/t16-,17?,19?/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine?
N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 81389643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).