N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine

C18H36N2 — CID 65281727

IUPACN-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC(C)(C)CC2)CCCC1
InChIInChI=1S/C18H36N2/c1-4-12-19-15-18(9-5-6-10-18)16-20-13-7-8-17(2,3)11-14-20/h19H,4-16H2,1-3H3
InChIKeyXWMKRJMQERVFOU-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine

N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 65281727) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID65281727
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC(C)(C)CC2)CCCC1
InChIInChI=1S/C18H36N2/c1-4-12-19-15-18(9-5-6-10-18)16-20-13-7-8-17(2,3)11-14-20/h19H,4-16H2,1-3H3
InChIKeyXWMKRJMQERVFOU-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 55051948
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 65282297
N-[[1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62772529
4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
CID 81107475
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102967363
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 64581384
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol
CID 81116507
1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967239
N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 62257159

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine (CID 65281727) is N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1(CN2CCCC(C)(C)CC2)CCCC1.
What is the InChIKey of N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is XWMKRJMQERVFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-12-19-15-18(9-5-6-10-18)16-20-13-7-8-17(2,3)11-14-20/h19H,4-16H2,1-3H3.
What are the key properties of N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine?
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 65281727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).