[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine

C15H30N2 — CID 113417909

IUPAC[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCCCC1CCN(CC2(CN)CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-2-6-14-7-10-17(11-14)13-15(12-16)8-4-3-5-9-15/h14H,2-13,16H2,1H3
InChIKeyNDFARCKLYCGNIX-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.02
Rot. Bonds5

About [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine

[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 113417909) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
PubChem CID113417909
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCCCC1CCN(CC2(CN)CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-2-6-14-7-10-17(11-14)13-15(12-16)8-4-3-5-9-15/h14H,2-13,16H2,1H3
InChIKeyNDFARCKLYCGNIX-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
CID 112629002
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
CID 79170228
2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone
CID 104678660
[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
CID 115453905
[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methanol
CID 55055613
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-propylazepane
CID 65006739
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63494206
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866

Frequently Asked Questions

What is the IUPAC name of [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine (CID 113417909) is [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine is CCCC1CCN(CC2(CN)CCCCC2)C1.
What is the InChIKey of [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is NDFARCKLYCGNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-6-14-7-10-17(11-14)13-15(12-16)8-4-3-5-9-15/h14H,2-13,16H2,1H3.
What are the key properties of [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 238.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 113417909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).