1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine

C14H18N2 — CID 79984796

IUPAC1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C14H18N2/c1-2-9-16-14(10-15)13-7-5-12(6-8-13)11-3-4-11/h1,5-8,11,14,16H,3-4,9-10,15H2
InChIKeyUXRKXWLKLNBVOZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.79
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine

1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 79984796) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID79984796
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C14H18N2/c1-2-9-16-14(10-15)13-7-5-12(6-8-13)11-3-4-11/h1,5-8,11,14,16H,3-4,9-10,15H2
InChIKeyUXRKXWLKLNBVOZ-UHFFFAOYSA-N
XLogP1.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380164
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-prop-2-ynylethane-1,2-diamine
CID 65380967
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
1-(3-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381566
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
CID 79977505
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine
CID 79984707
N-but-3-ynyl-1-(4-chlorophenyl)ethane-1,2-diamine
CID 116641154
1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380972

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine (CID 79984796) is 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine is C#CCNC(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is UXRKXWLKLNBVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-9-16-14(10-15)13-7-5-12(6-8-13)11-3-4-11/h1,5-8,11,14,16H,3-4,9-10,15H2.
What are the key properties of 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine?
1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 214.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 79984796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).