N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine

C13H27N — CID 118618598

IUPACN-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)CCC[C@@H]1C[C@H]1CNC(C)C
InChIInChI=1S/C13H27N/c1-10(2)6-5-7-12-8-13(12)9-14-11(3)4/h10-14H,5-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyXOIBCYDUVXNHTD-OLZOCXBDSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds7

About N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine

N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 118618598) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine
PubChem CID118618598
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)CCC[C@@H]1C[C@H]1CNC(C)C
InChIInChI=1S/C13H27N/c1-10(2)6-5-7-12-8-13(12)9-14-11(3)4/h10-14H,5-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyXOIBCYDUVXNHTD-OLZOCXBDSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine (CID 118618598) is N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine is CC(C)CCC[C@@H]1C[C@H]1CNC(C)C.
What is the InChIKey of N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is XOIBCYDUVXNHTD-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)6-5-7-12-8-13(12)9-14-11(3)4/h10-14H,5-9H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine?
N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 118618598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).