(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine

C14H20N4 — CID 99615717

IUPAC(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
SMILESC[C@@H](CNCCCn1ccnn1)c1ccccc1
InChIInChI=1S/C14H20N4/c1-13(14-6-3-2-4-7-14)12-15-8-5-10-18-11-9-16-17-18/h2-4,6-7,9,11,13,15H,5,8,10,12H2,1H3/t13-/m0/s1
InChIKeyBNFYYFYMYDVOKD-ZDUSSCGKSA-N
MW244.34 g/mol
LogP2.06
Rot. Bonds7

About (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine

(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine (PubChem CID 99615717) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
PubChem CID99615717
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
SMILESC[C@@H](CNCCCn1ccnn1)c1ccccc1
InChIInChI=1S/C14H20N4/c1-13(14-6-3-2-4-7-14)12-15-8-5-10-18-11-9-16-17-18/h2-4,6-7,9,11,13,15H,5,8,10,12H2,1H3/t13-/m0/s1
InChIKeyBNFYYFYMYDVOKD-ZDUSSCGKSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383
2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
CID 107442688
2-phenyl-3-[2-(triazol-1-yl)ethylamino]propanenitrile
CID 113412677
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 113412535
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
1-(3-phenylpropyl)triazole
CID 12811434
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine?
The IUPAC name of (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine (CID 99615717) is (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine.
What is the SMILES notation for (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine?
The canonical SMILES for (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine is C[C@@H](CNCCCn1ccnn1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine?
The InChIKey is BNFYYFYMYDVOKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4/c1-13(14-6-3-2-4-7-14)12-15-8-5-10-18-11-9-16-17-18/h2-4,6-7,9,11,13,15H,5,8,10,12H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine?
(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 99615717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).