ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine

C14H34N2 — CID 143578873

IUPACethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine
SMILESCC.CC.CCNCC1(CC)CCNCC1
InChIInChI=1S/C10H22N2.2C2H6/c1-3-10(9-11-4-2)5-7-12-8-6-10;2*1-2/h11-12H,3-9H2,1-2H3;2*1-2H3
InChIKeyBRWKUDXXAHRAFW-UHFFFAOYSA-N
MW230.44 g/mol
LogP3.43
Rot. Bonds4

About ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine

ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine (PubChem CID 143578873) has the molecular formula C14H34N2 and a molecular weight of 230.44 g/mol. Its IUPAC name is ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Nameethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine
PubChem CID143578873
Molecular FormulaC14H34N2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC Nameethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine
SMILESCC.CC.CCNCC1(CC)CCNCC1
InChIInChI=1S/C10H22N2.2C2H6/c1-3-10(9-11-4-2)5-7-12-8-6-10;2*1-2/h11-12H,3-9H2,1-2H3;2*1-2H3
InChIKeyBRWKUDXXAHRAFW-UHFFFAOYSA-N
XLogP3.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
1-(4-ethylpiperidin-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 114113003
N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
CID 114100580
4,4-diethylpiperidine;hydrochloride
CID 75419509
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
4-ethyl-4-(ethylaminomethyl)piperidine-1-carbaldehyde
CID 143834965
N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 63129839
N-[(4-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
CID 63129554
N-[(1-ethylcyclopentyl)methyl]-1-(3-methylpiperidin-3-yl)methanamine
CID 114125809
N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine
CID 115326071
N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143226
ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine
CID 143462559

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine (CID 143578873) is ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine is CC.CC.CCNCC1(CC)CCNCC1.
What is the InChIKey of ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is BRWKUDXXAHRAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.2C2H6/c1-3-10(9-11-4-2)5-7-12-8-6-10;2*1-2/h11-12H,3-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine?
ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 230.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 143578873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).