N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine

C18H36N2 — CID 177134653

IUPACN,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine
SMILESCC(C)CCN(C)CC1CCN(C2CCC(C)CC2)C1
InChIInChI=1S/C18H36N2/c1-15(2)9-11-19(4)13-17-10-12-20(14-17)18-7-5-16(3)6-8-18/h15-18H,5-14H2,1-4H3
InChIKeyAETRDDMCHGVQPN-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.86
Rot. Bonds6

About N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine

N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine (PubChem CID 177134653) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine
PubChem CID177134653
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine
SMILESCC(C)CCN(C)CC1CCN(C2CCC(C)CC2)C1
InChIInChI=1S/C18H36N2/c1-15(2)9-11-19(4)13-17-10-12-20(14-17)18-7-5-16(3)6-8-18/h15-18H,5-14H2,1-4H3
InChIKeyAETRDDMCHGVQPN-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[1-(4-methylcyclohexyl)piperidin-4-yl]methyl]ethanamine
CID 143632235
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061
1-cyclopropyl-3-methylpyrrolidine;ethane
CID 176992470
N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 55089565
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
CID 168724519
1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine
CID 122661427
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
(2S)-2-amino-4-methyl-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pentan-1-one
CID 119895957
1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64942540

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine (CID 177134653) is N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine is CC(C)CCN(C)CC1CCN(C2CCC(C)CC2)C1.
What is the InChIKey of N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine?
The InChIKey is AETRDDMCHGVQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2)9-11-19(4)13-17-10-12-20(14-17)18-7-5-16(3)6-8-18/h15-18H,5-14H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine?
N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[1-(4-methylcyclohexyl)pyrrolidin-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 177134653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).