1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine

C17H27N — CID 79333192

IUPAC1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-10-15-13-17(15,18)16(5-2,6-3)14-11-8-7-9-12-14/h7-9,11-12,15H,4-6,10,13,18H2,1-3H3
InChIKeyWOMCBAKKEUJYPR-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.26
Rot. Bonds6

About 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine

1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine (PubChem CID 79333192) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine
PubChem CID79333192
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-10-15-13-17(15,18)16(5-2,6-3)14-11-8-7-9-12-14/h7-9,11-12,15H,4-6,10,13,18H2,1-3H3
InChIKeyWOMCBAKKEUJYPR-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine?
The IUPAC name of 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine (CID 79333192) is 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine.
What is the SMILES notation for 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine?
The canonical SMILES for 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine is CCCC1CC1(N)C(CC)(CC)c1ccccc1.
What is the InChIKey of 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine?
The InChIKey is WOMCBAKKEUJYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-10-15-13-17(15,18)16(5-2,6-3)14-11-8-7-9-12-14/h7-9,11-12,15H,4-6,10,13,18H2,1-3H3.
What are the key properties of 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine?
1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpentan-3-yl)-2-propylcyclopropan-1-amine is sourced from PubChem (CID 79333192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).