(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine

C11H14N2 — CID 121446388

IUPAC(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC[C@H](N)c1ccccc1
InChIInChI=1S/C11H14N2/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h1,3-7,11,13H,8-9,12H2/t11-/m0/s1
InChIKeyQZOXIDILZSBCLT-NSHDSACASA-N
MW174.25 g/mol
LogP0.91
Rot. Bonds4

About (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine

(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine (PubChem CID 121446388) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine
PubChem CID121446388
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC[C@H](N)c1ccccc1
InChIInChI=1S/C11H14N2/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h1,3-7,11,13H,8-9,12H2/t11-/m0/s1
InChIKeyQZOXIDILZSBCLT-NSHDSACASA-N
XLogP0.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(prop-2-ynylamino)ethanol
CID 4724225
(2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine
CID 87394089
N'-(2-amino-2-phenylethyl)propane-1,3-diamine
CID 102078830
1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 61150371
(1S)-1-phenyl-2-prop-2-ynoxyethanamine
CID 146597037
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-benzhydryl-2-(prop-2-ynylamino)acetamide
CID 78908468
2-phenylmethoxy-N-prop-2-ynylpropan-1-amine
CID 62566311
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
benzyl 2-methyl-3-(prop-2-ynylamino)propanoate
CID 106483863
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine
CID 107292807

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine?
The IUPAC name of (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine (CID 121446388) is (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine is C#CCNC[C@H](N)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine?
The InChIKey is QZOXIDILZSBCLT-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h1,3-7,11,13H,8-9,12H2/t11-/m0/s1.
What are the key properties of (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine?
(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine has a molecular weight of 174.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 121446388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).