ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen

C14H34N2 — CID 156795305

IUPACethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen
SMILESCC.CCN1CCC(CCNC(C)C)CC1.[H][H]
InChIInChI=1S/C12H26N2.C2H6.H2/c1-4-14-9-6-12(7-10-14)5-8-13-11(2)3;1-2;/h11-13H,4-10H2,1-3H3;1-2H3;1H
InChIKeyMNFRGAQUVICWKH-UHFFFAOYSA-N
MW230.44 g/mol
LogP3.38
Rot. Bonds5

About ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen

ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen (PubChem CID 156795305) has the molecular formula C14H34N2 and a molecular weight of 230.44 g/mol. Its IUPAC name is ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen
PubChem CID156795305
Molecular FormulaC14H34N2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC Nameethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen
SMILESCC.CCN1CCC(CCNC(C)C)CC1.[H][H]
InChIInChI=1S/C12H26N2.C2H6.H2/c1-4-14-9-6-12(7-10-14)5-8-13-11(2)3;1-2;/h11-13H,4-10H2,1-3H3;1-2H3;1H
InChIKeyMNFRGAQUVICWKH-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen
CID 176576480
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CID 165122655
N-(2-cyclobutylethyl)propan-2-amine;molecular hydrogen
CID 171515150
N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 146359522
1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 166113030
N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
CID 83963211
N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine
CID 83963163
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666
1,4-diethylpiperidine;ethane
CID 143709904
N-(2-cyclohexylethyl)-1-(1-ethylpiperidin-3-yl)ethanamine
CID 54931824
2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]propan-2-amine
CID 115717000

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen?
The IUPAC name of ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen (CID 156795305) is ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen.
What is the SMILES notation for ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen?
The canonical SMILES for ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen is CC.CCN1CCC(CCNC(C)C)CC1.[H][H].
What is the InChIKey of ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen?
The InChIKey is MNFRGAQUVICWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C2H6.H2/c1-4-14-9-6-12(7-10-14)5-8-13-11(2)3;1-2;/h11-13H,4-10H2,1-3H3;1-2H3;1H.
What are the key properties of ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen?
ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen has a molecular weight of 230.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen is sourced from PubChem (CID 156795305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).