[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine

C17H35N3 — CID 62886963

IUPAC[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCCC2CN(C)C)C1
InChIInChI=1S/C17H35N3/c1-4-6-14-8-9-15(12-18)17(11-14)20-10-5-7-16(20)13-19(2)3/h14-17H,4-13,18H2,1-3H3
InChIKeyMDCBWGGCLMGKNG-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds6

About [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine

[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine (PubChem CID 62886963) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine
PubChem CID62886963
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCCC2CN(C)C)C1
InChIInChI=1S/C17H35N3/c1-4-6-14-8-9-15(12-18)17(11-14)20-10-5-7-16(20)13-19(2)3/h14-17H,4-13,18H2,1-3H3
InChIKeyMDCBWGGCLMGKNG-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dimethylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 62330648
[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
CID 79927666
4-propyl-2-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83052555
(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
CID 43530816
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-ethylcyclohexyl]methanamine
CID 102725585
[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine
CID 43575808
[4-ethyl-2-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43293344
[2-(2-ethylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 60974547
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine
CID 62987758
trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol
CID 102732104
[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
CID 63603329

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine (CID 62886963) is [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(N2CCCC2CN(C)C)C1.
What is the InChIKey of [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine?
The InChIKey is MDCBWGGCLMGKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-6-14-8-9-15(12-18)17(11-14)20-10-5-7-16(20)13-19(2)3/h14-17H,4-13,18H2,1-3H3.
What are the key properties of [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine?
[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 62886963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).