1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine

C14H18N2 — CID 173147287

IUPAC1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine
SMILESCN(C)C(C1=CCCC=C1)c1ccncc1
InChIInChI=1S/C14H18N2/c1-16(2)14(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h4,6-11,14H,3,5H2,1-2H3
InChIKeyKFLVBNMZQSTRNR-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.96
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine

1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine (PubChem CID 173147287) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine
PubChem CID173147287
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine
SMILESCN(C)C(C1=CCCC=C1)c1ccncc1
InChIInChI=1S/C14H18N2/c1-16(2)14(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h4,6-11,14H,3,5H2,1-2H3
InChIKeyKFLVBNMZQSTRNR-UHFFFAOYSA-N
XLogP2.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[dimethylamino(pyridin-4-yl)methyl]aniline
CID 116907052
4-[dimethylamino(pyridin-4-yl)methyl]benzoic acid
CID 116908451
N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine
CID 143593614
2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
CID 143730073
(1R)-1-cyclohexa-1,5-dien-1-ylethanol
CID 101132775
2-chloro-2-cyclohexa-1,5-dien-1-yl-N,N-dimethylethanamine
CID 170023943
1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 145106210
N-(1-cyclohexa-1,5-dien-1-ylethoxy)-N,2-dimethyl-1-phenylpropan-1-amine;methane
CID 159779840
(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
CID 165151813
N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine
CID 143632415
2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine
CID 116914393

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine (CID 173147287) is 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine is CN(C)C(C1=CCCC=C1)c1ccncc1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine?
The InChIKey is KFLVBNMZQSTRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-16(2)14(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h4,6-11,14H,3,5H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine?
1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine has a molecular weight of 214.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 173147287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).