4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine

C16H28N2O — CID 103391726

IUPAC4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine
SMILESCCCN(Cc1ccccc1)C(CCCN)COC
InChIInChI=1S/C16H28N2O/c1-3-12-18(13-15-8-5-4-6-9-15)16(14-19-2)10-7-11-17/h4-6,8-9,16H,3,7,10-14,17H2,1-2H3
InChIKeyQYTMKKHQFJTKKU-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.65
Rot. Bonds10

About 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine

4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine (PubChem CID 103391726) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine
PubChem CID103391726
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine
SMILESCCCN(Cc1ccccc1)C(CCCN)COC
InChIInChI=1S/C16H28N2O/c1-3-12-18(13-15-8-5-4-6-9-15)16(14-19-2)10-7-11-17/h4-6,8-9,16H,3,7,10-14,17H2,1-2H3
InChIKeyQYTMKKHQFJTKKU-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 131068415
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759
N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine
CID 107367944
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
CID 106511569
5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 103391711
3-[benzyl(propyl)amino]butan-2-ol
CID 131042967
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
3-butoxy-2-(dibenzylamino)propan-1-ol
CID 163833677

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine?
The IUPAC name of 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine (CID 103391726) is 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine.
What is the SMILES notation for 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine?
The canonical SMILES for 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine is CCCN(Cc1ccccc1)C(CCCN)COC.
What is the InChIKey of 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine?
The InChIKey is QYTMKKHQFJTKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-12-18(13-15-8-5-4-6-9-15)16(14-19-2)10-7-11-17/h4-6,8-9,16H,3,7,10-14,17H2,1-2H3.
What are the key properties of 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine?
4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine is sourced from PubChem (CID 103391726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).