5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine

C19H38N2 — CID 43105975

IUPAC5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCC(C(C)C)N2CCCC2)C1
InChIInChI=1S/C19H38N2/c1-14(2)17-9-8-16(5)12-18(17)20-13-19(15(3)4)21-10-6-7-11-21/h14-20H,6-13H2,1-5H3
InChIKeyLQCQEYTWMNDAFQ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.16
Rot. Bonds6

About 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43105975) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID43105975
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCC(C(C)C)N2CCCC2)C1
InChIInChI=1S/C19H38N2/c1-14(2)17-9-8-16(5)12-18(17)20-13-19(15(3)4)21-10-6-7-11-21/h14-20H,6-13H2,1-5H3
InChIKeyLQCQEYTWMNDAFQ-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine (CID 43105975) is 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCC(C(C)C)N2CCCC2)C1.
What is the InChIKey of 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is LQCQEYTWMNDAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-14(2)17-9-8-16(5)12-18(17)20-13-19(15(3)4)21-10-6-7-11-21/h14-20H,6-13H2,1-5H3.
What are the key properties of 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43105975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).