carbamic acid;4-phenylbutane-1,2-diamine

C11H19N3O2 — CID 70126726

IUPACcarbamic acid;4-phenylbutane-1,2-diamine
SMILESNC(=O)O.NCC(N)CCc1ccccc1
InChIInChI=1S/C10H16N2.CH3NO2/c11-8-10(12)7-6-9-4-2-1-3-5-9;2-1(3)4/h1-5,10H,6-8,11-12H2;2H2,(H,3,4)
InChIKeyYPTBRYYCHSLVQG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.53
Rot. Bonds4

About carbamic acid;4-phenylbutane-1,2-diamine

carbamic acid;4-phenylbutane-1,2-diamine (PubChem CID 70126726) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is carbamic acid;4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Namecarbamic acid;4-phenylbutane-1,2-diamine
PubChem CID70126726
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namecarbamic acid;4-phenylbutane-1,2-diamine
SMILESNC(=O)O.NCC(N)CCc1ccccc1
InChIInChI=1S/C10H16N2.CH3NO2/c11-8-10(12)7-6-9-4-2-1-3-5-9;2-1(3)4/h1-5,10H,6-8,11-12H2;2H2,(H,3,4)
InChIKeyYPTBRYYCHSLVQG-UHFFFAOYSA-N
XLogP0.53
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-phenylbutan-1-ol
CID 159249603
5-phenylpentane-1,3-diamine
CID 68702978
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
2-(2-phenylethyl)propanediamide
CID 66660020
1,4-diphenylbutan-2-amine
CID 60820174
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
6-phenylhexane-1,4-diamine
CID 23163544
3-methyl-5-phenylpentanamide
CID 66761020
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
(3R)-1-phenylhexan-3-amine
CID 66612996
(2S,3S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 11218609
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665

Frequently Asked Questions

What is the IUPAC name of carbamic acid;4-phenylbutane-1,2-diamine?
The IUPAC name of carbamic acid;4-phenylbutane-1,2-diamine (CID 70126726) is carbamic acid;4-phenylbutane-1,2-diamine.
What is the SMILES notation for carbamic acid;4-phenylbutane-1,2-diamine?
The canonical SMILES for carbamic acid;4-phenylbutane-1,2-diamine is NC(=O)O.NCC(N)CCc1ccccc1.
What is the InChIKey of carbamic acid;4-phenylbutane-1,2-diamine?
The InChIKey is YPTBRYYCHSLVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.CH3NO2/c11-8-10(12)7-6-9-4-2-1-3-5-9;2-1(3)4/h1-5,10H,6-8,11-12H2;2H2,(H,3,4).
What are the key properties of carbamic acid;4-phenylbutane-1,2-diamine?
carbamic acid;4-phenylbutane-1,2-diamine has a molecular weight of 225.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;4-phenylbutane-1,2-diamine is sourced from PubChem (CID 70126726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).