N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine

C13H19N — CID 146351725

IUPACN,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine
SMILESC/C=C\C1=CCC(C)=CC=C1N(C)C
InChIInChI=1S/C13H19N/c1-5-6-12-9-7-11(2)8-10-13(12)14(3)4/h5-6,8-10H,7H2,1-4H3/b6-5-
InChIKeySZLBZQZJECVXQF-WAYWQWQTSA-N
MW189.30 g/mol
LogP3.28
Rot. Bonds2

About N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine

N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine (PubChem CID 146351725) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine
PubChem CID146351725
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine
SMILESC/C=C\C1=CCC(C)=CC=C1N(C)C
InChIInChI=1S/C13H19N/c1-5-6-12-9-7-11(2)8-10-13(12)14(3)4/h5-6,8-10H,7H2,1-4H3/b6-5-
InChIKeySZLBZQZJECVXQF-WAYWQWQTSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine (CID 146351725) is N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine is C/C=C\C1=CCC(C)=CC=C1N(C)C.
What is the InChIKey of N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine?
The InChIKey is SZLBZQZJECVXQF-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H19N/c1-5-6-12-9-7-11(2)8-10-13(12)14(3)4/h5-6,8-10H,7H2,1-4H3/b6-5-.
What are the key properties of N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine?
N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 146351725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).