N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine

C19H37N — CID 81030673

IUPACN-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCC1CC(C(C)C)CCC1CNC1CC1
InChIInChI=1S/C19H37N/c1-4-5-6-7-8-17-13-16(15(2)3)9-10-18(17)14-20-19-11-12-19/h15-20H,4-14H2,1-3H3
InChIKeyPTFOFNCCMHVZMP-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.40
Rot. Bonds9

About N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine

N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81030673) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
PubChem CID81030673
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCC1CC(C(C)C)CCC1CNC1CC1
InChIInChI=1S/C19H37N/c1-4-5-6-7-8-17-13-16(15(2)3)9-10-18(17)14-20-19-11-12-19/h15-20H,4-14H2,1-3H3
InChIKeyPTFOFNCCMHVZMP-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-octylcyclobutyl)methyl]cyclopropanamine
CID 81017226
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401640
N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 107889421
N-[[2-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81025758
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030361
N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 81031373

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine (CID 81030673) is N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine is CCCCCCC1CC(C(C)C)CCC1CNC1CC1.
What is the InChIKey of N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is PTFOFNCCMHVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-5-6-7-8-17-13-16(15(2)3)9-10-18(17)14-20-19-11-12-19/h15-20H,4-14H2,1-3H3.
What are the key properties of N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 279.51 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81030673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).