2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine

C13H28N2 — CID 63947157

IUPAC2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)CC1CC1
InChIInChI=1S/C13H28N2/c1-4-6-9-13(5-2,11-14)15(3)10-12-7-8-12/h12H,4-11,14H2,1-3H3
InChIKeyOWLSUUPXKCAYAQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds8

About 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine

2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine (PubChem CID 63947157) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
PubChem CID63947157
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)CC1CC1
InChIInChI=1S/C13H28N2/c1-4-6-9-13(5-2,11-14)15(3)10-12-7-8-12/h12H,4-11,14H2,1-3H3
InChIKeyOWLSUUPXKCAYAQ-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine (CID 63947157) is 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine is CCCCC(CC)(CN)N(C)CC1CC1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine?
The InChIKey is OWLSUUPXKCAYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-6-9-13(5-2,11-14)15(3)10-12-7-8-12/h12H,4-11,14H2,1-3H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine?
2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine is sourced from PubChem (CID 63947157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).