2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine

C13H28N2 — CID 43265755

IUPAC2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(CC)C(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-11-7-8-12(14)13(9-11)15(6-2)10(3)4/h10-13H,5-9,14H2,1-4H3
InChIKeyXAPPLCBHGGXMDN-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds4

About 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine

2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 43265755) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
PubChem CID43265755
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(CC)C(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-11-7-8-12(14)13(9-11)15(6-2)10(3)4/h10-13H,5-9,14H2,1-4H3
InChIKeyXAPPLCBHGGXMDN-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-N-(2-methylpropyl)-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 54999761
2-N,4-diethyl-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
CID 55011662
4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 16781866
2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387
2-N-propan-2-yl-2-N,4-dipropylcyclohexane-1,2-diamine
CID 54932445
2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
CID 63955967
2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78974066
4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine
CID 43269484
4-ethyl-3-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 165497433
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553
2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63632460
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397

Frequently Asked Questions

What is the IUPAC name of 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine (CID 43265755) is 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine is CCC1CCC(N)C(N(CC)C(C)C)C1.
What is the InChIKey of 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is XAPPLCBHGGXMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-11-7-8-12(14)13(9-11)15(6-2)10(3)4/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 43265755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).