N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine

C15H23N — CID 66765763

IUPACN,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine
SMILESC=C(CCC)C1=CC(=C)C(C)(N(C)C)C=C1
InChIInChI=1S/C15H23N/c1-7-8-12(2)14-9-10-15(4,16(5)6)13(3)11-14/h9-11H,2-3,7-8H2,1,4-6H3
InChIKeyGMORWAOSOAWIDJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.72
Rot. Bonds4

About N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine

N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 66765763) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID66765763
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine
SMILESC=C(CCC)C1=CC(=C)C(C)(N(C)C)C=C1
InChIInChI=1S/C15H23N/c1-7-8-12(2)14-9-10-15(4,16(5)6)13(3)11-14/h9-11H,2-3,7-8H2,1,4-6H3
InChIKeyGMORWAOSOAWIDJ-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine (CID 66765763) is N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine is C=C(CCC)C1=CC(=C)C(C)(N(C)C)C=C1.
What is the InChIKey of N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is GMORWAOSOAWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-7-8-12(2)14-9-10-15(4,16(5)6)13(3)11-14/h9-11H,2-3,7-8H2,1,4-6H3.
What are the key properties of N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine?
N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 66765763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).