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

C18H32N2 — CID 62262477

IUPACN-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)Cc1ccccc1
InChIInChI=1S/C18H32N2/c1-6-12-18(4,14-19-16(2)3)15-20(5)13-17-10-8-7-9-11-17/h7-11,16,19H,6,12-15H2,1-5H3
InChIKeyNDXMWLJTHFYVES-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.92
Rot. Bonds9

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

N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine (PubChem CID 62262477) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
PubChem CID62262477
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)Cc1ccccc1
InChIInChI=1S/C18H32N2/c1-6-12-18(4,14-19-16(2)3)15-20(5)13-17-10-8-7-9-11-17/h7-11,16,19H,6,12-15H2,1-5H3
InChIKeyNDXMWLJTHFYVES-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255944
N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62258803
2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 63492986
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
CID 63482171
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256830
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine (CID 62262477) is N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)C)CN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The InChIKey is NDXMWLJTHFYVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-12-18(4,14-19-16(2)3)15-20(5)13-17-10-8-7-9-11-17/h7-11,16,19H,6,12-15H2,1-5H3.
What are the key properties of N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.92, 9 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'-propan-2-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62262477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).