1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine

C12H26N2 — CID 83982203

IUPAC1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
SMILESCCN1CCCCC1CC(N)C(C)C
InChIInChI=1S/C12H26N2/c1-4-14-8-6-5-7-11(14)9-12(13)10(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeyDCSFAAGVNCQPPZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds4

About 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine

1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine (PubChem CID 83982203) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
PubChem CID83982203
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
SMILESCCN1CCCCC1CC(N)C(C)C
InChIInChI=1S/C12H26N2/c1-4-14-8-6-5-7-11(14)9-12(13)10(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeyDCSFAAGVNCQPPZ-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
2-(2-bromopropyl)-1-ethylpiperidine
CID 126979306
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
1,2-diethylpiperidine
CID 19604037
2-(2-bromopropyl)-1-ethylpyrrolidine
CID 130533962
1-(1-ethylpiperidin-2-yl)pentan-3-amine
CID 83982198
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
(1-ethylazepan-2-yl)methanol
CID 2849413
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine (CID 83982203) is 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine is CCN1CCCCC1CC(N)C(C)C.
What is the InChIKey of 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine?
The InChIKey is DCSFAAGVNCQPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-14-8-6-5-7-11(14)9-12(13)10(2)3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine?
1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 83982203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).