N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine

C15H32N2 — CID 114100580

IUPACN-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
SMILESCCC1(CNCC(C)(C)C(C)C)CCNCC1
InChIInChI=1S/C15H32N2/c1-6-15(7-9-16-10-8-15)12-17-11-14(4,5)13(2)3/h13,16-17H,6-12H2,1-5H3
InChIKeyDLGHPHHKBRGFAO-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.04
Rot. Bonds6

About N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine

N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine (PubChem CID 114100580) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
PubChem CID114100580
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
SMILESCCC1(CNCC(C)(C)C(C)C)CCNCC1
InChIInChI=1S/C15H32N2/c1-6-15(7-9-16-10-8-15)12-17-11-14(4,5)13(2)3/h13,16-17H,6-12H2,1-5H3
InChIKeyDLGHPHHKBRGFAO-UHFFFAOYSA-N
XLogP3.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine
CID 143578873
N'-hydroxy-2-[1-[(2,2,3-trimethylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 114100375
1-(4-ethylpiperidin-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 114113003
4,4-diethylpiperidine;hydrochloride
CID 75419509
N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143226
N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine
CID 115326071
N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine
CID 63143274
N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 63129839
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
3-ethyl-3-(2-methylbutyl)pyrrolidine
CID 62352988
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-ol
CID 102670964

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine?
The IUPAC name of N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine (CID 114100580) is N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine?
The canonical SMILES for N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine is CCC1(CNCC(C)(C)C(C)C)CCNCC1.
What is the InChIKey of N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine?
The InChIKey is DLGHPHHKBRGFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-15(7-9-16-10-8-15)12-17-11-14(4,5)13(2)3/h13,16-17H,6-12H2,1-5H3.
What are the key properties of N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine?
N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpiperidin-4-yl)methyl]-2,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 114100580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).