(2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine

C15H22N2 — CID 102380041

IUPAC(2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine
SMILESC=CCN(CC=C)C[C@H](C)Nc1ccccc1
InChIInChI=1S/C15H22N2/c1-4-11-17(12-5-2)13-14(3)16-15-9-7-6-8-10-15/h4-10,14,16H,1-2,11-13H2,3H3/t14-/m0/s1
InChIKeyOIOHRQIPKYOJNB-AWEZNQCLSA-N
MW230.36 g/mol
LogP3.16
Rot. Bonds8

About (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine

(2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine (PubChem CID 102380041) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine
PubChem CID102380041
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine
SMILESC=CCN(CC=C)C[C@H](C)Nc1ccccc1
InChIInChI=1S/C15H22N2/c1-4-11-17(12-5-2)13-14(3)16-15-9-7-6-8-10-15/h4-10,14,16H,1-2,11-13H2,3H3/t14-/m0/s1
InChIKeyOIOHRQIPKYOJNB-AWEZNQCLSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62619076
2-[2-anilinopropyl(methyl)amino]ethanol
CID 10954782
1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine
CID 23009471
4-N-phenylpentane-2,4-diamine
CID 156531414
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
2-N,2-N,2-trimethyl-4-N-phenylpentane-2,4-diamine
CID 13185865
(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol
CID 11543104
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448
N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 55094933
1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride
CID 174494914
N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62439717
N-(5-phenylpentan-2-yl)aniline
CID 134967933

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine?
The IUPAC name of (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine (CID 102380041) is (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine is C=CCN(CC=C)C[C@H](C)Nc1ccccc1.
What is the InChIKey of (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine?
The InChIKey is OIOHRQIPKYOJNB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-11-17(12-5-2)13-14(3)16-15-9-7-6-8-10-15/h4-10,14,16H,1-2,11-13H2,3H3/t14-/m0/s1.
What are the key properties of (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine?
(2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine has a molecular weight of 230.36 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-phenyl-1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine is sourced from PubChem (CID 102380041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).