ethane;N-ethylcyclohexanamine

C12H29N — CID 144865505

IUPACethane;N-ethylcyclohexanamine
SMILESCC.CC.CCNC1CCCCC1
InChIInChI=1S/C8H17N.2C2H6/c1-2-9-8-6-4-3-5-7-8;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyNJTUSRFDBGDLCV-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.98
Rot. Bonds2

About ethane;N-ethylcyclohexanamine

ethane;N-ethylcyclohexanamine (PubChem CID 144865505) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;N-ethylcyclohexanamine.

Molecular Properties

Compound Nameethane;N-ethylcyclohexanamine
PubChem CID144865505
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;N-ethylcyclohexanamine
SMILESCC.CC.CCNC1CCCCC1
InChIInChI=1S/C8H17N.2C2H6/c1-2-9-8-6-4-3-5-7-8;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyNJTUSRFDBGDLCV-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclohexanamine;hydroxylamine
CID 142330095
N-ethylcyclopentanamine;methanol
CID 161343027
cyclohexanamine;N-ethylcyclohexanamine
CID 22649726
acetic acid;N-ethylcyclohexanamine
CID 66685670
N-ethylcyclopropanamine;hydrochloride
CID 43810659
(E)-but-2-enoic acid;N-ethylcyclohexanamine
CID 70244613
N-propylcyclohexanamine;hydrochloride
CID 17370003
azane;N-propylcyclohexanamine
CID 19368218
N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine
CID 129121429
N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen
CID 144978462

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylcyclohexanamine?
The IUPAC name of ethane;N-ethylcyclohexanamine (CID 144865505) is ethane;N-ethylcyclohexanamine.
What is the SMILES notation for ethane;N-ethylcyclohexanamine?
The canonical SMILES for ethane;N-ethylcyclohexanamine is CC.CC.CCNC1CCCCC1.
What is the InChIKey of ethane;N-ethylcyclohexanamine?
The InChIKey is NJTUSRFDBGDLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.2C2H6/c1-2-9-8-6-4-3-5-7-8;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;N-ethylcyclohexanamine?
ethane;N-ethylcyclohexanamine has a molecular weight of 187.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylcyclohexanamine is sourced from PubChem (CID 144865505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).