N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine

C16H34N2 — CID 62559487

IUPACN-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine
SMILESCCC1CCCN(CCNC(C)CCC(C)C)C1
InChIInChI=1S/C16H34N2/c1-5-16-7-6-11-18(13-16)12-10-17-15(4)9-8-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyIAEMOCYXSDZYBL-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine

N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine (PubChem CID 62559487) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine
PubChem CID62559487
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine
SMILESCCC1CCCN(CCNC(C)CCC(C)C)C1
InChIInChI=1S/C16H34N2/c1-5-16-7-6-11-18(13-16)12-10-17-15(4)9-8-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyIAEMOCYXSDZYBL-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
CID 62558297
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
N-[2-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine
CID 62554564
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine
CID 63151207
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
N-[2-(3-ethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
CID 55090197
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol
CID 142001257
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148
1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
CID 62624076

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine (CID 62559487) is N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine is CCC1CCCN(CCNC(C)CCC(C)C)C1.
What is the InChIKey of N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine?
The InChIKey is IAEMOCYXSDZYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-16-7-6-11-18(13-16)12-10-17-15(4)9-8-14(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine?
N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 62559487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).