N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine

C11H24N2 — CID 62575619

IUPACN'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCNCCN(C)C1CC1
InChIInChI=1S/C11H24N2/c1-10(2)6-7-12-8-9-13(3)11-4-5-11/h10-12H,4-9H2,1-3H3
InChIKeyPXTGFBRGQDWEIS-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds7

About N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 62575619) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
PubChem CID62575619
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCNCCN(C)C1CC1
InChIInChI=1S/C11H24N2/c1-10(2)6-7-12-8-9-13(3)11-4-5-11/h10-12H,4-9H2,1-3H3
InChIKeyPXTGFBRGQDWEIS-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
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'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine
CID 59728996
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
CID 62977424
N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 62975902
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
CID 78991146
propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62976857
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
CID 62977588

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine (CID 62575619) is N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine is CC(C)CCNCCN(C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is PXTGFBRGQDWEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2)6-7-12-8-9-13(3)11-4-5-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62575619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).