N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine

C16H30N2O — CID 114413385

IUPACN-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
SMILESCOCC1=CCN(CCCCCCNC2CC2)CC1
InChIInChI=1S/C16H30N2O/c1-19-14-15-8-12-18(13-9-15)11-5-3-2-4-10-17-16-6-7-16/h8,16-17H,2-7,9-14H2,1H3
InChIKeyFNOJZQRYPBGXFL-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.58
Rot. Bonds10

About N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine

N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine (PubChem CID 114413385) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
PubChem CID114413385
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
SMILESCOCC1=CCN(CCCCCCNC2CC2)CC1
InChIInChI=1S/C16H30N2O/c1-19-14-15-8-12-18(13-9-15)11-5-3-2-4-10-17-16-6-7-16/h8,16-17H,2-7,9-14H2,1H3
InChIKeyFNOJZQRYPBGXFL-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine
CID 114413427
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114411060
N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114410849
N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine
CID 114413482
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 79184231
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 114412833
N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
CID 114490100

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine?
The IUPAC name of N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine (CID 114413385) is N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine?
The canonical SMILES for N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine is COCC1=CCN(CCCCCCNC2CC2)CC1.
What is the InChIKey of N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine?
The InChIKey is FNOJZQRYPBGXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-19-14-15-8-12-18(13-9-15)11-5-3-2-4-10-17-16-6-7-16/h8,16-17H,2-7,9-14H2,1H3.
What are the key properties of N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine?
N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine has a molecular weight of 266.43 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine is sourced from PubChem (CID 114413385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).