N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine

C16H34N2 — CID 79005181

IUPACN'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
SMILESCC(C)CCN(CCCC(C)(C)CCN)C1CC1
InChIInChI=1S/C16H34N2/c1-14(2)8-13-18(15-6-7-15)12-5-9-16(3,4)10-11-17/h14-15H,5-13,17H2,1-4H3
InChIKeyLOVMDLRPEDQQPP-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds10

About N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine

N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine (PubChem CID 79005181) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
PubChem CID79005181
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
SMILESCC(C)CCN(CCCC(C)(C)CCN)C1CC1
InChIInChI=1S/C16H34N2/c1-14(2)8-13-18(15-6-7-15)12-5-9-16(3,4)10-11-17/h14-15H,5-13,17H2,1-4H3
InChIKeyLOVMDLRPEDQQPP-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine
CID 65295973
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
methyl 2-amino-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanoate
CID 78977512
1-amino-5-[cyclopropyl(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64818670
2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile
CID 78977480
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321
2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide
CID 78977398
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine?
The IUPAC name of N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine (CID 79005181) is N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine.
What is the SMILES notation for N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine?
The canonical SMILES for N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine is CC(C)CCN(CCCC(C)(C)CCN)C1CC1.
What is the InChIKey of N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine?
The InChIKey is LOVMDLRPEDQQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(2)8-13-18(15-6-7-15)12-5-9-16(3,4)10-11-17/h14-15H,5-13,17H2,1-4H3.
What are the key properties of N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine?
N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine is sourced from PubChem (CID 79005181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).