1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine

C13H20N2 — CID 62487396

IUPAC1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine
SMILESCC(N)(CNCC1CC1)c1ccccc1
InChIInChI=1S/C13H20N2/c1-13(14,10-15-9-11-7-8-11)12-5-3-2-4-6-12/h2-6,11,15H,7-10,14H2,1H3
InChIKeyYIJAOKDGGGKZSK-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.86
Rot. Bonds5

About 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine

1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine (PubChem CID 62487396) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine
PubChem CID62487396
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine
SMILESCC(N)(CNCC1CC1)c1ccccc1
InChIInChI=1S/C13H20N2/c1-13(14,10-15-9-11-7-8-11)12-5-3-2-4-6-12/h2-6,11,15H,7-10,14H2,1H3
InChIKeyYIJAOKDGGGKZSK-UHFFFAOYSA-N
XLogP1.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride
CID 119765459
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine
CID 65041408
2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine
CID 106219295
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine
CID 116788979
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
CID 63740219
1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine
CID 55078352
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62489695
2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166921

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine (CID 62487396) is 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine is CC(N)(CNCC1CC1)c1ccccc1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine?
The InChIKey is YIJAOKDGGGKZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(14,10-15-9-11-7-8-11)12-5-3-2-4-6-12/h2-6,11,15H,7-10,14H2,1H3.
What are the key properties of 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine?
1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 62487396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).