N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine

C14H23N — CID 70148837

IUPACN,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine
SMILESCCC(C)C(C)=C1C=C(N(C)C)C=CC1
InChIInChI=1S/C14H23N/c1-6-11(2)12(3)13-8-7-9-14(10-13)15(4)5/h7,9-11H,6,8H2,1-5H3
InChIKeySEZJZHMFMYVCNQ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.75
Rot. Bonds3

About N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine

N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine (PubChem CID 70148837) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine
PubChem CID70148837
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine
SMILESCCC(C)C(C)=C1C=C(N(C)C)C=CC1
InChIInChI=1S/C14H23N/c1-6-11(2)12(3)13-8-7-9-14(10-13)15(4)5/h7,9-11H,6,8H2,1-5H3
InChIKeySEZJZHMFMYVCNQ-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine (CID 70148837) is N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine is CCC(C)C(C)=C1C=C(N(C)C)C=CC1.
What is the InChIKey of N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine?
The InChIKey is SEZJZHMFMYVCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-11(2)12(3)13-8-7-9-14(10-13)15(4)5/h7,9-11H,6,8H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine?
N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70148837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).