6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine

C13H21N — CID 67879855

IUPAC6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESC=C1C=CC=CC1N(C(C)C)C(C)C
InChIInChI=1S/C13H21N/c1-10(2)14(11(3)4)13-9-7-6-8-12(13)5/h6-11,13H,5H2,1-4H3
InChIKeyFHNZXQJMOMZRFG-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.16
Rot. Bonds3

About 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine

6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 67879855) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
PubChem CID67879855
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESC=C1C=CC=CC1N(C(C)C)C(C)C
InChIInChI=1S/C13H21N/c1-10(2)14(11(3)4)13-9-7-6-8-12(13)5/h6-11,13H,5H2,1-4H3
InChIKeyFHNZXQJMOMZRFG-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine (CID 67879855) is 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine is C=C1C=CC=CC1N(C(C)C)C(C)C.
What is the InChIKey of 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is FHNZXQJMOMZRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)14(11(3)4)13-9-7-6-8-12(13)5/h6-11,13H,5H2,1-4H3.
What are the key properties of 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine?
6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-N,N-di(propan-2-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67879855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).