2-N-butyl-2-N-cyclopropylhexane-1,2-diamine

C13H28N2 — CID 61440730

IUPAC2-N-butyl-2-N-cyclopropylhexane-1,2-diamine
SMILESCCCCC(CN)N(CCCC)C1CC1
InChIInChI=1S/C13H28N2/c1-3-5-7-13(11-14)15(10-6-4-2)12-8-9-12/h12-13H,3-11,14H2,1-2H3
InChIKeyBNAIRXVNZLSQTR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.77
Rot. Bonds9

About 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine

2-N-butyl-2-N-cyclopropylhexane-1,2-diamine (PubChem CID 61440730) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-cyclopropylhexane-1,2-diamine
PubChem CID61440730
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-butyl-2-N-cyclopropylhexane-1,2-diamine
SMILESCCCCC(CN)N(CCCC)C1CC1
InChIInChI=1S/C13H28N2/c1-3-5-7-13(11-14)15(10-6-4-2)12-8-9-12/h12-13H,3-11,14H2,1-2H3
InChIKeyBNAIRXVNZLSQTR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine (CID 61440730) is 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine is CCCCC(CN)N(CCCC)C1CC1.
What is the InChIKey of 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine?
The InChIKey is BNAIRXVNZLSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-7-13(11-14)15(10-6-4-2)12-8-9-12/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine?
2-N-butyl-2-N-cyclopropylhexane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-cyclopropylhexane-1,2-diamine is sourced from PubChem (CID 61440730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).