7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine

C19H40N2 — CID 43308547

IUPAC7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
SMILESCCCN1CCC(C(C)NCCCCCCC(C)C)CC1
InChIInChI=1S/C19H40N2/c1-5-14-21-15-11-19(12-16-21)18(4)20-13-9-7-6-8-10-17(2)3/h17-20H,5-16H2,1-4H3
InChIKeySTZKNDGMJAXZFH-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds11

About 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine

7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine (PubChem CID 43308547) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
PubChem CID43308547
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
SMILESCCCN1CCC(C(C)NCCCCCCC(C)C)CC1
InChIInChI=1S/C19H40N2/c1-5-14-21-15-11-19(12-16-21)18(4)20-13-9-7-6-8-10-17(2)3/h17-20H,5-16H2,1-4H3
InChIKeySTZKNDGMJAXZFH-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
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-4-yl)ethyl]octan-1-amine
CID 115566698
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
CID 54920422
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
CID 116642856
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine?
The IUPAC name of 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine (CID 43308547) is 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine.
What is the SMILES notation for 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine?
The canonical SMILES for 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine is CCCN1CCC(C(C)NCCCCCCC(C)C)CC1.
What is the InChIKey of 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine?
The InChIKey is STZKNDGMJAXZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-5-14-21-15-11-19(12-16-21)18(4)20-13-9-7-6-8-10-17(2)3/h17-20H,5-16H2,1-4H3.
What are the key properties of 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine?
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine is sourced from PubChem (CID 43308547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).