1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C16H33N3 — CID 64761570

IUPAC1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCC1CCCC(CN)(N2CCCC2CN(C)C)C1C
InChIInChI=1S/C16H33N3/c1-13-7-5-9-16(12-17,14(13)2)19-10-6-8-15(19)11-18(3)4/h13-15H,5-12,17H2,1-4H3
InChIKeyXAGFSLLQQOCNLX-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds4

About 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 64761570) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID64761570
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCC1CCCC(CN)(N2CCCC2CN(C)C)C1C
InChIInChI=1S/C16H33N3/c1-13-7-5-9-16(12-17,14(13)2)19-10-6-8-15(19)11-18(3)4/h13-15H,5-12,17H2,1-4H3
InChIKeyXAGFSLLQQOCNLX-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 65319468
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64762335
1-[1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62884867
1-[1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115999095
1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885389
[1-(2,2-dimethylpyrrolidin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64763160
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115449022
[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417186
1-[1-[[1-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890070
[1-(3,3-dimethylmorpholin-4-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64761578
[2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 64761757
[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045929

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 64761570) is 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CC1CCCC(CN)(N2CCCC2CN(C)C)C1C.
What is the InChIKey of 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is XAGFSLLQQOCNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13-7-5-9-16(12-17,14(13)2)19-10-6-8-15(19)11-18(3)4/h13-15H,5-12,17H2,1-4H3.
What are the key properties of 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 64761570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).