4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine

C14H26N2 — CID 123460907

IUPAC4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine
SMILESC/C=N/C=C(C)CC1CCC(N(C)C)CC1
InChIInChI=1S/C14H26N2/c1-5-15-11-12(2)10-13-6-8-14(9-7-13)16(3)4/h5,11,13-14H,6-10H2,1-4H3/b12-11?,15-5+
InChIKeyPWJGUIDLJPWGEC-OUMYKDIASA-N
MW222.38 g/mol
LogP3.49
Rot. Bonds4

About 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine

4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 123460907) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID123460907
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine
SMILESC/C=N/C=C(C)CC1CCC(N(C)C)CC1
InChIInChI=1S/C14H26N2/c1-5-15-11-12(2)10-13-6-8-14(9-7-13)16(3)4/h5,11,13-14H,6-10H2,1-4H3/b12-11?,15-5+
InChIKeyPWJGUIDLJPWGEC-OUMYKDIASA-N
XLogP3.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654679
N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654680

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine (CID 123460907) is 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine is C/C=N/C=C(C)CC1CCC(N(C)C)CC1.
What is the InChIKey of 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is PWJGUIDLJPWGEC-OUMYKDIASA-N. The full InChI is InChI=1S/C14H26N2/c1-5-15-11-12(2)10-13-6-8-14(9-7-13)16(3)4/h5,11,13-14H,6-10H2,1-4H3/b12-11?,15-5+.
What are the key properties of 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine?
4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 123460907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).