2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine

C13H28N2 — CID 61440618

IUPAC2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine
SMILESCCCCC(CN)N(CCC)CC1CC1
InChIInChI=1S/C13H28N2/c1-3-5-6-13(10-14)15(9-4-2)11-12-7-8-12/h12-13H,3-11,14H2,1-2H3
InChIKeyONXAOCVLBLZLMT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds9

About 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine

2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine (PubChem CID 61440618) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine
PubChem CID61440618
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine
SMILESCCCCC(CN)N(CCC)CC1CC1
InChIInChI=1S/C13H28N2/c1-3-5-6-13(10-14)15(9-4-2)11-12-7-8-12/h12-13H,3-11,14H2,1-2H3
InChIKeyONXAOCVLBLZLMT-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-propylnonane-1,2-diamine
CID 63472517
2-N-(cyclopropylmethyl)-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60710078
2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66270133
2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine
CID 43752757
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070
2-N-butyl-2-N-cyclopropylhexane-1,2-diamine
CID 61440730
1-N-butyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 62568153
2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine
CID 116501671
3-[cyclopropylmethyl(propyl)amino]pentanethioamide
CID 61441831
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62430407

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine (CID 61440618) is 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine is CCCCC(CN)N(CCC)CC1CC1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine?
The InChIKey is ONXAOCVLBLZLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-6-13(10-14)15(9-4-2)11-12-7-8-12/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine?
2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine is sourced from PubChem (CID 61440618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).