ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine

C18H40N2O — CID 165146040

IUPACethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine
SMILESCC.CNCCCCCCN1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O.C2H6/c1-16(2,3)19-15-9-13-18(14-10-15)12-8-6-5-7-11-17-4;1-2/h15,17H,5-14H2,1-4H3;1-2H3
InChIKeyBHZDHQMYWOCUPH-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.07
Rot. Bonds8

About ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine

ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine (PubChem CID 165146040) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine
PubChem CID165146040
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Nameethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine
SMILESCC.CNCCCCCCN1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O.C2H6/c1-16(2,3)19-15-9-13-18(14-10-15)12-8-6-5-7-11-17-4;1-2/h15,17H,5-14H2,1-4H3;1-2H3
InChIKeyBHZDHQMYWOCUPH-UHFFFAOYSA-N
XLogP4.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine
CID 55072251
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one
CID 169289811
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
CID 134580010
N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
CID 79171030
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
CID 167253643
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine?
The IUPAC name of ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine (CID 165146040) is ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine.
What is the SMILES notation for ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine?
The canonical SMILES for ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine is CC.CNCCCCCCN1CCC(OC(C)(C)C)CC1.
What is the InChIKey of ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine?
The InChIKey is BHZDHQMYWOCUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O.C2H6/c1-16(2,3)19-15-9-13-18(14-10-15)12-8-6-5-7-11-17-4;1-2/h15,17H,5-14H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine?
ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine is sourced from PubChem (CID 165146040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).