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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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).