N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine

C17H34N2 — CID 79069582

IUPACN,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)C1CCCC(C)C1)N1CCCC1
InChIInChI=1S/C17H34N2/c1-5-17(3,19-11-6-7-12-19)16(18-4)15-10-8-9-14(2)13-15/h14-16,18H,5-13H2,1-4H3
InChIKeyNXWXECQJJRVKIS-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds5

About N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine

N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79069582) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79069582
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)C1CCCC(C)C1)N1CCCC1
InChIInChI=1S/C17H34N2/c1-5-17(3,19-11-6-7-12-19)16(18-4)15-10-8-9-14(2)13-15/h14-16,18H,5-13H2,1-4H3
InChIKeyNXWXECQJJRVKIS-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069201
[2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241067
N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79060672
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
CID 79064908
N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069344
1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060660
N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79057396
[2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropyl]hydrazine
CID 105239825
(1-cyclopentyl-2-methyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105241054
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
1-cyclopentyl-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056224
1-cyclopropyl-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056145

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine (CID 79069582) is N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(NC)C1CCCC(C)C1)N1CCCC1.
What is the InChIKey of N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is NXWXECQJJRVKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-17(3,19-11-6-7-12-19)16(18-4)15-10-8-9-14(2)13-15/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79069582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).