N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine

C15H34N2 — CID 62574843

IUPACN-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNC(C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-6-11-17(12-7-2)13-10-16-15(5)9-8-14(3)4/h14-16H,6-13H2,1-5H3
InChIKeyGZAGAYAZFXLJLX-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds11

About N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine

N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine (PubChem CID 62574843) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine
PubChem CID62574843
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNC(C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-6-11-17(12-7-2)13-10-16-15(5)9-8-14(3)4/h14-16H,6-13H2,1-5H3
InChIKeyGZAGAYAZFXLJLX-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997759
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine
CID 107869580
N',N'-bis(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62560843
N'-[2-(dimethylamino)ethyl]-N-heptan-2-yl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555157
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62560903
N-ethyl-5-methylhexan-2-amine
CID 24689543
N-heptan-2-yl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560190
3-(5-methylhexan-2-ylamino)propanenitrile
CID 43183224
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine (CID 62574843) is N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNC(C)CCC(C)C.
What is the InChIKey of N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine?
The InChIKey is GZAGAYAZFXLJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-11-17(12-7-2)13-10-16-15(5)9-8-14(3)4/h14-16H,6-13H2,1-5H3.
What are the key properties of N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine?
N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 62574843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).