2-benzyl-N'-cyclopropylpropane-1,3-diamine

C13H20N2 — CID 117241556

IUPAC2-benzyl-N'-cyclopropylpropane-1,3-diamine
SMILESNCC(CNC1CC1)Cc1ccccc1
InChIInChI=1S/C13H20N2/c14-9-12(10-15-13-6-7-13)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10,14H2
InChIKeyKKBGULPCCJDFST-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.56
Rot. Bonds6

About 2-benzyl-N'-cyclopropylpropane-1,3-diamine

2-benzyl-N'-cyclopropylpropane-1,3-diamine (PubChem CID 117241556) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-benzyl-N'-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound Name2-benzyl-N'-cyclopropylpropane-1,3-diamine
PubChem CID117241556
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-benzyl-N'-cyclopropylpropane-1,3-diamine
SMILESNCC(CNC1CC1)Cc1ccccc1
InChIInChI=1S/C13H20N2/c14-9-12(10-15-13-6-7-13)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10,14H2
InChIKeyKKBGULPCCJDFST-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N'-cyclobutylpropane-1,3-diamine
CID 117241558
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
N-(2-cyclopropyl-3-phenylpropyl)cyclopropanamine
CID 104819239
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
2-N-cyclopropyl-3-phenylpropane-1,2-diamine
CID 62070151
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
N-(2-cycloheptyl-3-phenylpropyl)cyclopropanamine
CID 82932346
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481
(3S)-1-N-cyclopropyl-4-phenylbutane-1,3-diamine
CID 129054273

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N'-cyclopropylpropane-1,3-diamine?
The IUPAC name of 2-benzyl-N'-cyclopropylpropane-1,3-diamine (CID 117241556) is 2-benzyl-N'-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for 2-benzyl-N'-cyclopropylpropane-1,3-diamine?
The canonical SMILES for 2-benzyl-N'-cyclopropylpropane-1,3-diamine is NCC(CNC1CC1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N'-cyclopropylpropane-1,3-diamine?
The InChIKey is KKBGULPCCJDFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-9-12(10-15-13-6-7-13)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10,14H2.
What are the key properties of 2-benzyl-N'-cyclopropylpropane-1,3-diamine?
2-benzyl-N'-cyclopropylpropane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N'-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 117241556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).