ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine

C14H29N — CID 177204189

IUPACethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine
SMILESC=C1CCCC(N(CC)C(C)C)C1.CC
InChIInChI=1S/C12H23N.C2H6/c1-5-13(10(2)3)12-8-6-7-11(4)9-12;1-2/h10,12H,4-9H2,1-3H3;1-2H3
InChIKeyNZHPPPWDEFVOTG-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.24
Rot. Bonds3

About ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine

ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine (PubChem CID 177204189) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine
PubChem CID177204189
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Nameethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine
SMILESC=C1CCCC(N(CC)C(C)C)C1.CC
InChIInChI=1S/C12H23N.C2H6/c1-5-13(10(2)3)12-8-6-7-11(4)9-12;1-2/h10,12H,4-9H2,1-3H3;1-2H3
InChIKeyNZHPPPWDEFVOTG-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine (CID 177204189) is ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine is C=C1CCCC(N(CC)C(C)C)C1.CC.
What is the InChIKey of ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is NZHPPPWDEFVOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C2H6/c1-5-13(10(2)3)12-8-6-7-11(4)9-12;1-2/h10,12H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine?
ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 177204189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).