N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine

C15H22N2 — CID 107367944

IUPACN'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine
SMILESC#CC(CC)N(CCCN)Cc1ccccc1
InChIInChI=1S/C15H22N2/c1-3-15(4-2)17(12-8-11-16)13-14-9-6-5-7-10-14/h1,5-7,9-10,15H,4,8,11-13,16H2,2H3
InChIKeyXFUIAJAYGCGIEL-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.25
Rot. Bonds7

About N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine

N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine (PubChem CID 107367944) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine
PubChem CID107367944
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine
SMILESC#CC(CC)N(CCCN)Cc1ccccc1
InChIInChI=1S/C15H22N2/c1-3-15(4-2)17(12-8-11-16)13-14-9-6-5-7-10-14/h1,5-7,9-10,15H,4,8,11-13,16H2,2H3
InChIKeyXFUIAJAYGCGIEL-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.25
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

N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
CID 107367320
2-[benzyl(2-hydroxyethyl)amino]butanenitrile
CID 62115822
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
2-[3-aminopropyl(benzyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107367919
4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine
CID 103391726
N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine
CID 107364937
N'-benzyl-N'-[1-(4-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 107365176
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine (CID 107367944) is N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine is C#CC(CC)N(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine?
The InChIKey is XFUIAJAYGCGIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-15(4-2)17(12-8-11-16)13-14-9-6-5-7-10-14/h1,5-7,9-10,15H,4,8,11-13,16H2,2H3.
What are the key properties of N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine?
N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine has a molecular weight of 230.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine is sourced from PubChem (CID 107367944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).