N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine

C15H22N2 — CID 123740090

IUPACN,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESC=C(C)c1cc/c(=N\C(C)C)c(NC)cc1C
InChIInChI=1S/C15H22N2/c1-10(2)13-7-8-14(17-11(3)4)15(16-6)9-12(13)5/h7-9,11H,1H2,2-6H3,(H,16,17)
InChIKeyAHMHIRVCTUQDQC-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.38
Rot. Bonds3

About N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine

N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine (PubChem CID 123740090) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
PubChem CID123740090
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESC=C(C)c1cc/c(=N\C(C)C)c(NC)cc1C
InChIInChI=1S/C15H22N2/c1-10(2)13-7-8-14(17-11(3)4)15(16-6)9-12(13)5/h7-9,11H,1H2,2-6H3,(H,16,17)
InChIKeyAHMHIRVCTUQDQC-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine (CID 123740090) is N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine is C=C(C)c1cc/c(=N\C(C)C)c(NC)cc1C.
What is the InChIKey of N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is AHMHIRVCTUQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(2)13-7-8-14(17-11(3)4)15(16-6)9-12(13)5/h7-9,11H,1H2,2-6H3,(H,16,17).
What are the key properties of N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine?
N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-7-propan-2-ylimino-4-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 123740090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).