N'-(2-amino-2-phenylethyl)propane-1,3-diamine

C11H19N3 — CID 102078830

IUPACN'-(2-amino-2-phenylethyl)propane-1,3-diamine
SMILESNCCCNCC(N)c1ccccc1
InChIInChI=1S/C11H19N3/c12-7-4-8-14-9-11(13)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9,12-13H2
InChIKeyDQVFFOIIGNTKLI-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.62
Rot. Bonds6

About N'-(2-amino-2-phenylethyl)propane-1,3-diamine

N'-(2-amino-2-phenylethyl)propane-1,3-diamine (PubChem CID 102078830) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-(2-amino-2-phenylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-amino-2-phenylethyl)propane-1,3-diamine
PubChem CID102078830
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-(2-amino-2-phenylethyl)propane-1,3-diamine
SMILESNCCCNCC(N)c1ccccc1
InChIInChI=1S/C11H19N3/c12-7-4-8-14-9-11(13)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9,12-13H2
InChIKeyDQVFFOIIGNTKLI-UHFFFAOYSA-N
XLogP0.62
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 61150371
(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine
CID 121446388
ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine
CID 145359006
N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine
CID 172791353
N'-benzyl-1-phenylbutane-1,4-diamine
CID 55204537
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N'-(2-methoxypropyl)-1-phenylpropane-1,3-diamine
CID 102698624
N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
CID 107815640
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-phenylethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-amino-2-phenylethyl)propane-1,3-diamine (CID 102078830) is N'-(2-amino-2-phenylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-amino-2-phenylethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-amino-2-phenylethyl)propane-1,3-diamine is NCCCNCC(N)c1ccccc1.
What is the InChIKey of N'-(2-amino-2-phenylethyl)propane-1,3-diamine?
The InChIKey is DQVFFOIIGNTKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c12-7-4-8-14-9-11(13)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9,12-13H2.
What are the key properties of N'-(2-amino-2-phenylethyl)propane-1,3-diamine?
N'-(2-amino-2-phenylethyl)propane-1,3-diamine has a molecular weight of 193.29 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-phenylethyl)propane-1,3-diamine is sourced from PubChem (CID 102078830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).