N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine

C17H30N2 — CID 62561843

IUPACN-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCNCc1ccccc1)CC(C)C
InChIInChI=1S/C17H30N2/c1-15(2)13-19(14-16(3)4)11-10-18-12-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3
InChIKeyXJBASNCTCRNKEF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.39
Rot. Bonds9

About N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine

N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62561843) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
PubChem CID62561843
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCNCc1ccccc1)CC(C)C
InChIInChI=1S/C17H30N2/c1-15(2)13-19(14-16(3)4)11-10-18-12-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3
InChIKeyXJBASNCTCRNKEF-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089880
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
CID 61378856
N'-benzyl-N-[2-[benzyl-[2-(benzylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 69031173
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726698
N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089726
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786
N-benzyl-N'-propan-2-ylpropane-1,3-diamine
CID 61150632
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62555011

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine (CID 62561843) is N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCNCc1ccccc1)CC(C)C.
What is the InChIKey of N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is XJBASNCTCRNKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-15(2)13-19(14-16(3)4)11-10-18-12-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3.
What are the key properties of N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62561843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).