5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine

C13H21N — CID 177018752

IUPAC5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine
SMILESC=C1C=CC(C(C)C)=C(NCCC)C1
InChIInChI=1S/C13H21N/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyCPNZTMDYAXWSLQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.41
Rot. Bonds4

About 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine

5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine (PubChem CID 177018752) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine
PubChem CID177018752
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine
SMILESC=C1C=CC(C(C)C)=C(NCCC)C1
InChIInChI=1S/C13H21N/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyCPNZTMDYAXWSLQ-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine (CID 177018752) is 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine is C=C1C=CC(C(C)C)=C(NCCC)C1.
What is the InChIKey of 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine?
The InChIKey is CPNZTMDYAXWSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine?
5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-propan-2-yl-N-propylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 177018752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).