N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine

C16H24N2 — CID 103276011

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCC1=CC(C)CC(CNCCc2ccccn2)C1
InChIInChI=1S/C16H24N2/c1-13-9-14(2)11-15(10-13)12-17-8-6-16-5-3-4-7-18-16/h3-5,7,9,13,15,17H,6,8,10-12H2,1-2H3
InChIKeyIFCLFYANIWXHNA-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.21
Rot. Bonds5

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 103276011) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine
PubChem CID103276011
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCC1=CC(C)CC(CNCCc2ccccn2)C1
InChIInChI=1S/C16H24N2/c1-13-9-14(2)11-15(10-13)12-17-8-6-16-5-3-4-7-18-16/h3-5,7,9,13,15,17H,6,8,10-12H2,1-2H3
InChIKeyIFCLFYANIWXHNA-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
N-[(1,1-dioxothiolan-3-yl)methyl]-2-pyridin-2-ylethanamine
CID 54914636
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 63898763
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 116521121
N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573237
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 79608018
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine (CID 103276011) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine is CC1=CC(C)CC(CNCCc2ccccn2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is IFCLFYANIWXHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-9-14(2)11-15(10-13)12-17-8-6-16-5-3-4-7-18-16/h3-5,7,9,13,15,17H,6,8,10-12H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 103276011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).