5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine

C17H36N2 — CID 115325204

IUPAC5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
SMILESCCCN1CCCC(C(C)NCCCCC(C)C)C1
InChIInChI=1S/C17H36N2/c1-5-12-19-13-8-10-17(14-19)16(4)18-11-7-6-9-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyZSELCPVJLJOIOX-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds9

About 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine

5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine (PubChem CID 115325204) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
PubChem CID115325204
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
SMILESCCCN1CCCC(C(C)NCCCCC(C)C)C1
InChIInChI=1S/C17H36N2/c1-5-12-19-13-8-10-17(14-19)16(4)18-11-7-6-9-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyZSELCPVJLJOIOX-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine
CID 43308556
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-(1-propylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426780
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
N-ethoxy-1-(1-propylpiperidin-3-yl)ethanamine
CID 82710396
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63852890
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine?
The IUPAC name of 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine (CID 115325204) is 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine.
What is the SMILES notation for 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine?
The canonical SMILES for 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine is CCCN1CCCC(C(C)NCCCCC(C)C)C1.
What is the InChIKey of 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine?
The InChIKey is ZSELCPVJLJOIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-12-19-13-8-10-17(14-19)16(4)18-11-7-6-9-15(2)3/h15-18H,5-14H2,1-4H3.
What are the key properties of 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine?
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 115325204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).