N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol

C20H30N2O — CID 142517482

IUPACN,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)c1ccccn1.CN(C)C1CCCCC1
InChIInChI=1S/C12H13NO.C8H17N/c1-3-11(8-7-10(2)14)12-6-4-5-9-13-12;1-9(2)8-6-4-3-5-7-8/h3-9,14H,2H2,1H3;8H,3-7H2,1-2H3/b8-7-,11-3+;
InChIKeyMABZEUYOERZORN-AYMIGLINSA-N
MW314.47 g/mol
LogP4.99
Rot. Bonds4

About N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol

N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol (PubChem CID 142517482) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol
PubChem CID142517482
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)c1ccccn1.CN(C)C1CCCCC1
InChIInChI=1S/C12H13NO.C8H17N/c1-3-11(8-7-10(2)14)12-6-4-5-9-13-12;1-9(2)8-6-4-3-5-7-8/h3-9,14H,2H2,1H3;8H,3-7H2,1-2H3/b8-7-,11-3+;
InChIKeyMABZEUYOERZORN-AYMIGLINSA-N
XLogP4.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol with MolForge

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Related Compounds

[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
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N,N-dimethylcyclohexanamine;pyridine
CID 122704912
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
benzene;N,N-dimethylcyclohexanamine
CID 142054055
(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
CID 142517601
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine
CID 154932235
2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
CID 139420658
2-[[(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-yl]oxymethyl]-1,3-thiazole
CID 142517592
(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
CID 155726107
(E)-3-[2-[cyclohexyl(methyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 114056964

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol?
The IUPAC name of N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol (CID 142517482) is N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol.
What is the SMILES notation for N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol?
The canonical SMILES for N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C/C)c1ccccn1.CN(C)C1CCCCC1.
What is the InChIKey of N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol?
The InChIKey is MABZEUYOERZORN-AYMIGLINSA-N. The full InChI is InChI=1S/C12H13NO.C8H17N/c1-3-11(8-7-10(2)14)12-6-4-5-9-13-12;1-9(2)8-6-4-3-5-7-8/h3-9,14H,2H2,1H3;8H,3-7H2,1-2H3/b8-7-,11-3+;.
What are the key properties of N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol?
N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol has a molecular weight of 314.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol is sourced from PubChem (CID 142517482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).