4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine

C14H30N2 — CID 63980553

IUPAC4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)C(C)(C)CC)C1
InChIInChI=1S/C14H30N2/c1-6-11-8-9-12(15)13(10-11)16(5)14(3,4)7-2/h11-13H,6-10,15H2,1-5H3
InChIKeyUFTPJARSNBHDOB-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds4

About 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine

4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine (PubChem CID 63980553) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
PubChem CID63980553
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)C(C)(C)CC)C1
InChIInChI=1S/C14H30N2/c1-6-11-8-9-12(15)13(10-11)16(5)14(3,4)7-2/h11-13H,6-10,15H2,1-5H3
InChIKeyUFTPJARSNBHDOB-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine (CID 63980553) is 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine is CCC1CCC(N)C(N(C)C(C)(C)CC)C1.
What is the InChIKey of 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is UFTPJARSNBHDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-11-8-9-12(15)13(10-11)16(5)14(3,4)7-2/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 63980553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).