N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine

C15H26N2 — CID 62424928

IUPACN-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-10-16-11-14(2)12-17(3)13-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3
InChIKeyCWVPLUPWDUNKGT-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.75
Rot. Bonds8

About N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine

N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 62424928) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID62424928
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-10-16-11-14(2)12-17(3)13-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3
InChIKeyCWVPLUPWDUNKGT-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62432012
N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 62411635
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
CID 162416433
N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
CID 115463667
N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine
CID 165462183
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63699519
1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
CID 130563731
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62412873
1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62038846

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine (CID 62424928) is N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine is CCCNCC(C)CN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is CWVPLUPWDUNKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-10-16-11-14(2)12-17(3)13-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3.
What are the key properties of N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine?
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62424928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).