2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine

C13H27N — CID 83159690

IUPAC2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(C)(CNC(C)C)C1CC1
InChIInChI=1S/C13H27N/c1-10(2)8-13(5,12-6-7-12)9-14-11(3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyPKHRDWXSZZYSHV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds6

About 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine

2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine (PubChem CID 83159690) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
PubChem CID83159690
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(C)(CNC(C)C)C1CC1
InChIInChI=1S/C13H27N/c1-10(2)8-13(5,12-6-7-12)9-14-11(3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyPKHRDWXSZZYSHV-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine (CID 83159690) is 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine is CC(C)CC(C)(CNC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine?
The InChIKey is PKHRDWXSZZYSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)8-13(5,12-6-7-12)9-14-11(3)4/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine?
2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83159690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).