2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine

C16H26N2 — CID 113464327

IUPAC2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)NCC1CC1C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-12-8-15(12)11-18-16(10-17)9-13(2)14-6-4-3-5-7-14/h3-7,12-13,15-16,18H,8-11,17H2,1-2H3
InChIKeyXOSGXIIGYGWBSD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.75
Rot. Bonds7

About 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine

2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine (PubChem CID 113464327) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine
PubChem CID113464327
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)NCC1CC1C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-12-8-15(12)11-18-16(10-17)9-13(2)14-6-4-3-5-7-14/h3-7,12-13,15-16,18H,8-11,17H2,1-2H3
InChIKeyXOSGXIIGYGWBSD-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine?
The IUPAC name of 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine (CID 113464327) is 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine is CC(CC(CN)NCC1CC1C)c1ccccc1.
What is the InChIKey of 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine?
The InChIKey is XOSGXIIGYGWBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-15(12)11-18-16(10-17)9-13(2)14-6-4-3-5-7-14/h3-7,12-13,15-16,18H,8-11,17H2,1-2H3.
What are the key properties of 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine?
2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine is sourced from PubChem (CID 113464327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).