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

C18H35N — CID 107889421

IUPACN-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCCCC(C)C1CC(C(C)C)CCC1CNC1CC1
InChIInChI=1S/C18H35N/c1-5-6-14(4)18-11-15(13(2)3)7-8-16(18)12-19-17-9-10-17/h13-19H,5-12H2,1-4H3
InChIKeyNBZRRCSSSCPBGP-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.86
Rot. Bonds7

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

N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine (PubChem CID 107889421) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
PubChem CID107889421
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCCCC(C)C1CC(C(C)C)CCC1CNC1CC1
InChIInChI=1S/C18H35N/c1-5-6-14(4)18-11-15(13(2)3)7-8-16(18)12-19-17-9-10-17/h13-19H,5-12H2,1-4H3
InChIKeyNBZRRCSSSCPBGP-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 107889423
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 116500524
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81031196
N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
CID 107889334
N-[[2-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 103503338
N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
CID 81030520
N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
CID 81032509
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
N-[[2-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81025758
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294

Frequently Asked Questions

What is the IUPAC name of N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine (CID 107889421) is N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine is CCCC(C)C1CC(C(C)C)CCC1CNC1CC1.
What is the InChIKey of N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is NBZRRCSSSCPBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-6-14(4)18-11-15(13(2)3)7-8-16(18)12-19-17-9-10-17/h13-19H,5-12H2,1-4H3.
What are the key properties of N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 265.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 107889421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).