N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine

C18H36N2 — CID 63494206

IUPACN-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCCC1CCN(CC2(CNC(C)C)CCCC2)CC1
InChIInChI=1S/C18H36N2/c1-4-7-17-8-12-20(13-9-17)15-18(10-5-6-11-18)14-19-16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyHCGJDTOQSINQOD-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds7

About N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine

N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 63494206) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID63494206
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCCC1CCN(CC2(CNC(C)C)CCCC2)CC1
InChIInChI=1S/C18H36N2/c1-4-7-17-8-12-20(13-9-17)15-18(10-5-6-11-18)14-19-16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyHCGJDTOQSINQOD-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methanol
CID 55055613
[1-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628956
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756110
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-propylazepane
CID 65006739
N-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62392876
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine
CID 65013559
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103538890
[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 113417909
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837816
N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63619386

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine (CID 63494206) is N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine is CCCC1CCN(CC2(CNC(C)C)CCCC2)CC1.
What is the InChIKey of N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is HCGJDTOQSINQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-7-17-8-12-20(13-9-17)15-18(10-5-6-11-18)14-19-16(2)3/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 63494206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).