3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine

C20H35N — CID 178089540

IUPAC3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=CC1=C(C)C.CCC(C)CC(CC)CC
InChIInChI=1S/C10H13N.C10H22/c1-8(2)9-6-4-5-7-10(9)11-3;1-5-9(4)8-10(6-2)7-3/h4-7H,1-3H3;9-10H,5-8H2,1-4H3/b11-10+;
InChIKeyQINRAQBKDIDSMN-ASTDGNLGSA-N
MW289.51 g/mol
LogP6.38
Rot. Bonds5

About 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine

3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine (PubChem CID 178089540) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
PubChem CID178089540
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=CC1=C(C)C.CCC(C)CC(CC)CC
InChIInChI=1S/C10H13N.C10H22/c1-8(2)9-6-4-5-7-10(9)11-3;1-5-9(4)8-10(6-2)7-3/h4-7H,1-3H3;9-10H,5-8H2,1-4H3/b11-10+;
InChIKeyQINRAQBKDIDSMN-ASTDGNLGSA-N
XLogP6.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine (CID 178089540) is 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine is C/N=C1\C=CC=CC1=C(C)C.CCC(C)CC(CC)CC.
What is the InChIKey of 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is QINRAQBKDIDSMN-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H13N.C10H22/c1-8(2)9-6-4-5-7-10(9)11-3;1-5-9(4)8-10(6-2)7-3/h4-7H,1-3H3;9-10H,5-8H2,1-4H3/b11-10+;.
What are the key properties of 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 289.51 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylheptane;N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 178089540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).