N-heptan-3-ylcyclohexa-1,3-dien-1-amine

C13H23N — CID 129282137

IUPACN-heptan-3-ylcyclohexa-1,3-dien-1-amine
SMILESCCCCC(CC)NC1=CC=CCC1
InChIInChI=1S/C13H23N/c1-3-5-9-12(4-2)14-13-10-7-6-8-11-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyPOSNUAOROODTEJ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.78
Rot. Bonds6

About N-heptan-3-ylcyclohexa-1,3-dien-1-amine

N-heptan-3-ylcyclohexa-1,3-dien-1-amine (PubChem CID 129282137) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-heptan-3-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-heptan-3-ylcyclohexa-1,3-dien-1-amine
PubChem CID129282137
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-heptan-3-ylcyclohexa-1,3-dien-1-amine
SMILESCCCCC(CC)NC1=CC=CCC1
InChIInChI=1S/C13H23N/c1-3-5-9-12(4-2)14-13-10-7-6-8-11-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyPOSNUAOROODTEJ-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-heptan-3-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-heptan-3-ylcyclohexa-1,3-dien-1-amine (CID 129282137) is N-heptan-3-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-heptan-3-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-heptan-3-ylcyclohexa-1,3-dien-1-amine is CCCCC(CC)NC1=CC=CCC1.
What is the InChIKey of N-heptan-3-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is POSNUAOROODTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-5-9-12(4-2)14-13-10-7-6-8-11-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-heptan-3-ylcyclohexa-1,3-dien-1-amine?
N-heptan-3-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 129282137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).