1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine

C14H28N2 — CID 103748264

IUPAC1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine
SMILESCC(C)C1CCCC(NC2CCN(C)C2)C1
InChIInChI=1S/C14H28N2/c1-11(2)12-5-4-6-13(9-12)15-14-7-8-16(3)10-14/h11-15H,4-10H2,1-3H3
InChIKeyBMUACGWBTIEVHI-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds3

About 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine

1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine (PubChem CID 103748264) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine
PubChem CID103748264
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine
SMILESCC(C)C1CCCC(NC2CCN(C)C2)C1
InChIInChI=1S/C14H28N2/c1-11(2)12-5-4-6-13(9-12)15-14-7-8-16(3)10-14/h11-15H,4-10H2,1-3H3
InChIKeyBMUACGWBTIEVHI-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine (CID 103748264) is 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine is CC(C)C1CCCC(NC2CCN(C)C2)C1.
What is the InChIKey of 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is BMUACGWBTIEVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)12-5-4-6-13(9-12)15-14-7-8-16(3)10-14/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine?
1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 103748264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).