N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine

C16H34N2 — CID 62263510

IUPACN-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(CC)CNC(C)(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-7-11-18(14-9-10-14)13-16(6,8-2)12-17-15(3,4)5/h14,17H,7-13H2,1-6H3
InChIKeyXAUBUNKRRPRHPW-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine

N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine (PubChem CID 62263510) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
PubChem CID62263510
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(CC)CNC(C)(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-7-11-18(14-9-10-14)13-16(6,8-2)12-17-15(3,4)5/h14,17H,7-13H2,1-6H3
InChIKeyXAUBUNKRRPRHPW-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-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-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-propylpropane-1,3-diamine
CID 62263679
N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62263394
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62259598
N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine
CID 62261273
N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine
CID 62263671
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62261000
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 78944163
2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol
CID 102871030
2-[cyclobutyl-[2-(ethylaminomethyl)-2-methylbutyl]amino]ethanol
CID 102870942
N-cyclopropyl-N-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 64520870
N,N'-dicyclopropyl-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62263843
N-tert-butyl-2-ethyl-2-methylbutan-1-amine
CID 62724057

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine (CID 62263510) is N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(CC)CNC(C)(C)C)C1CC1.
What is the InChIKey of N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is XAUBUNKRRPRHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-11-18(14-9-10-14)13-16(6,8-2)12-17-15(3,4)5/h14,17H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62263510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).