7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine

C15H30N2O — CID 114411035

IUPAC7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine
SMILESCOCC1=CCN(CC(C)CCCC(C)N)CC1
InChIInChI=1S/C15H30N2O/c1-13(5-4-6-14(2)16)11-17-9-7-15(8-10-17)12-18-3/h7,13-14H,4-6,8-12,16H2,1-3H3
InChIKeyHEPCRXUEMSMABG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.42
Rot. Bonds8

About 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine

7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine (PubChem CID 114411035) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine.

Molecular Properties

Compound Name7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine
PubChem CID114411035
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine
SMILESCOCC1=CCN(CC(C)CCCC(C)N)CC1
InChIInChI=1S/C15H30N2O/c1-13(5-4-6-14(2)16)11-17-9-7-15(8-10-17)12-18-3/h7,13-14H,4-6,8-12,16H2,1-3H3
InChIKeyHEPCRXUEMSMABG-UHFFFAOYSA-N
XLogP2.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963658
4-(methoxymethyl)-1-[(2-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 106741220
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine
CID 107473676
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-3-amine
CID 113581621
6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylhexan-1-amine
CID 113581630
7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-amine
CID 113581631
4-(methoxymethyl)-1-(3-piperidin-2-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581634
3-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113581635
4-(methoxymethyl)-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581643
[2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentyl]methanamine
CID 113581644
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 113581647
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cycloheptan-1-amine
CID 113581648

Frequently Asked Questions

What is the IUPAC name of 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine?
The IUPAC name of 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine (CID 114411035) is 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine.
What is the SMILES notation for 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine?
The canonical SMILES for 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine is COCC1=CCN(CC(C)CCCC(C)N)CC1.
What is the InChIKey of 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine?
The InChIKey is HEPCRXUEMSMABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(5-4-6-14(2)16)11-17-9-7-15(8-10-17)12-18-3/h7,13-14H,4-6,8-12,16H2,1-3H3.
What are the key properties of 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine?
7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine has a molecular weight of 254.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine is sourced from PubChem (CID 114411035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).