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

C13H28N2 — CID 43307389

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)C1CCCN(CC)C1
InChIInChI=1S/C13H28N2/c1-5-11(3)14-12(4)13-8-7-9-15(6-2)10-13/h11-14H,5-10H2,1-4H3
InChIKeySLQKDZYIMLYUFW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds5

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

N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine (PubChem CID 43307389) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
PubChem CID43307389
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)C1CCCN(CC)C1
InChIInChI=1S/C13H28N2/c1-5-11(3)14-12(4)13-8-7-9-15(6-2)10-13/h11-14H,5-10H2,1-4H3
InChIKeySLQKDZYIMLYUFW-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
N-[1-(1-ethylpiperidin-3-yl)ethyl]hexan-3-amine
CID 62119464
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one
CID 60932602
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43714859
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
CID 107248541
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylpiperazin-1-amine
CID 83010506
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685359
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
CID 102696931
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
N-(1-cyclopropylethyl)butan-2-amine
CID 43190238

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine (CID 43307389) is N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine is CCC(C)NC(C)C1CCCN(CC)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine?
The InChIKey is SLQKDZYIMLYUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-11(3)14-12(4)13-8-7-9-15(6-2)10-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 43307389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).