N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C19H34N2 — CID 63482890

IUPACN-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCN(Cc1ccccc1)CC(C)(CC)CNCC(C)C
InChIInChI=1S/C19H34N2/c1-6-19(5,15-20-13-17(3)4)16-21(7-2)14-18-11-9-8-10-12-18/h8-12,17,20H,6-7,13-16H2,1-5H3
InChIKeyZIHTWCFRBWATDF-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.17
Rot. Bonds10

About N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine

N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63482890) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63482890
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCN(Cc1ccccc1)CC(C)(CC)CNCC(C)C
InChIInChI=1S/C19H34N2/c1-6-19(5,15-20-13-17(3)4)16-21(7-2)14-18-11-9-8-10-12-18/h8-12,17,20H,6-7,13-16H2,1-5H3
InChIKeyZIHTWCFRBWATDF-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502
N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63956910
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 55107238
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
CID 55195781
2-[ethyl-[2-methyl-3-(2-methylpropylamino)-2-phenylpropyl]amino]ethanol
CID 62258274
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
CID 65266664
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
2-ethyl-N',2-dimethyl-N-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261959

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 63482890) is N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CCN(Cc1ccccc1)CC(C)(CC)CNCC(C)C.
What is the InChIKey of N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is ZIHTWCFRBWATDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-19(5,15-20-13-17(3)4)16-21(7-2)14-18-11-9-8-10-12-18/h8-12,17,20H,6-7,13-16H2,1-5H3.
What are the key properties of N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63482890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).