N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine

C16H22N2 — CID 54969118

IUPACN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1ccccc1C#CCN)C1CC1
InChIInChI=1S/C16H22N2/c1-2-12-18(16-9-10-16)13-15-7-4-3-6-14(15)8-5-11-17/h3-4,6-7,16H,2,9-13,17H2,1H3
InChIKeyBLCVELGYACGNEA-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.37
Rot. Bonds5

About N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine

N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine (PubChem CID 54969118) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine
PubChem CID54969118
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1ccccc1C#CCN)C1CC1
InChIInChI=1S/C16H22N2/c1-2-12-18(16-9-10-16)13-15-7-4-3-6-14(15)8-5-11-17/h3-4,6-7,16H,2,9-13,17H2,1H3
InChIKeyBLCVELGYACGNEA-UHFFFAOYSA-N
XLogP2.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylpentan-1-amine
CID 54969470
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylethanesulfonamide
CID 54966428
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 54969275
3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 65488226
3-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969808
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine
CID 65325687
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61455562
3-[[cyclopropyl(propyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115319
N-[2-[2-[[cyclopropyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463621
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclopropanamine
CID 43263914
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine (CID 54969118) is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine is CCCN(Cc1ccccc1C#CCN)C1CC1.
What is the InChIKey of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine?
The InChIKey is BLCVELGYACGNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-12-18(16-9-10-16)13-15-7-4-3-6-14(15)8-5-11-17/h3-4,6-7,16H,2,9-13,17H2,1H3.
What are the key properties of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine?
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine has a molecular weight of 242.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 54969118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).