N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine

C16H34N2 — CID 115717494

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NCCC1CCN(C)CC1
InChIInChI=1S/C16H34N2/c1-4-5-6-7-8-15(2)17-12-9-16-10-13-18(3)14-11-16/h15-17H,4-14H2,1-3H3
InChIKeyIIIQYKGIWYYIDN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine (PubChem CID 115717494) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
PubChem CID115717494
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NCCC1CCN(C)CC1
InChIInChI=1S/C16H34N2/c1-4-5-6-7-8-15(2)17-12-9-16-10-13-18(3)14-11-16/h15-17H,4-14H2,1-3H3
InChIKeyIIIQYKGIWYYIDN-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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

1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711
N-heptan-2-ylheptan-1-amine
CID 43572726
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylnonan-1-amine
CID 63491715
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 114515449
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N-(dicyclopropylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 115717378

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine (CID 115717494) is N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine is CCCCCCC(C)NCCC1CCN(C)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine?
The InChIKey is IIIQYKGIWYYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-5-6-7-8-15(2)17-12-9-16-10-13-18(3)14-11-16/h15-17H,4-14H2,1-3H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine is sourced from PubChem (CID 115717494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).