N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine

C17H30N2 — CID 55074482

IUPACN'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
SMILESCCN(CCCCNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-5-19(15-16-11-7-6-8-12-16)14-10-9-13-18-17(2,3)4/h6-8,11-12,18H,5,9-10,13-15H2,1-4H3
InChIKeyQKHNQQFHKKQFJB-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.68
Rot. Bonds8

About N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine

N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine (PubChem CID 55074482) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
PubChem CID55074482
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
SMILESCCN(CCCCNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-5-19(15-16-11-7-6-8-12-16)14-10-9-13-18-17(2,3)4/h6-8,11-12,18H,5,9-10,13-15H2,1-4H3
InChIKeyQKHNQQFHKKQFJB-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.68
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-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423459
N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62419273
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65295960
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
CID 62422518
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N,N-dibenzyldodecan-1-amine
CID 11508874
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine?
The IUPAC name of N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine (CID 55074482) is N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine.
What is the SMILES notation for N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine?
The canonical SMILES for N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine is CCN(CCCCNC(C)(C)C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine?
The InChIKey is QKHNQQFHKKQFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-19(15-16-11-7-6-8-12-16)14-10-9-13-18-17(2,3)4/h6-8,11-12,18H,5,9-10,13-15H2,1-4H3.
What are the key properties of N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine?
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine is sourced from PubChem (CID 55074482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).