N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine

C13H28N2 — CID 62555882

IUPACN-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCCNCCN(CC(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-5-8-14-9-10-15(11-12(2)3)13-6-7-13/h12-14H,4-11H2,1-3H3
InChIKeyBSTIYVDZIZYIPE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds9

About N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine

N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62555882) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62555882
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCCNCCN(CC(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-5-8-14-9-10-15(11-12(2)3)13-6-7-13/h12-14H,4-11H2,1-3H3
InChIKeyBSTIYVDZIZYIPE-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
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'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575437
N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
CID 62555037
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 62553891
N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
CID 63501797
4-N-cyclopropyl-4-N-(2-methylpropyl)-1-N-propylpentane-1,4-diamine
CID 55073987
(2R)-1-N-butyl-1-N-cyclopropylpropane-1,2-diamine
CID 103934535
N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine
CID 57148222
N'-cyclopropyl-N'-(2-methylpropyl)-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62555061
6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol
CID 103737780
5-[cyclopropyl(2-methylpropyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809449

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62555882) is N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCCCNCCN(CC(C)C)C1CC1.
What is the InChIKey of N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is BSTIYVDZIZYIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-5-8-14-9-10-15(11-12(2)3)13-6-7-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62555882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).