N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine

C16H34N2 — CID 63163464

IUPACN-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCCC1(CC)CCN(CCNC(C)C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-16(7-2)8-11-18(12-9-16)13-10-17-15(5)14(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyBRUFWUANHCCIPF-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine

N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 63163464) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
PubChem CID63163464
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCCC1(CC)CCN(CCNC(C)C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-16(7-2)8-11-18(12-9-16)13-10-17-15(5)14(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyBRUFWUANHCCIPF-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-diethylpiperidin-1-yl)ethyl]heptan-2-amine
CID 63503790
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
1-(4,4-diethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
CID 63160248
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 55089717
2-(4,4-diethylpiperidin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 63163215
4,4-diethyl-1-(2-methylpropyl)piperidine;ethane
CID 154670691
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine
CID 62559338
3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine
CID 55165460
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]butan-2-amine
CID 63163546
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-4-methylaniline
CID 63503641
N-[2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]propan-2-amine
CID 159674202
4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63159208

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine (CID 63163464) is N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine is CCC1(CC)CCN(CCNC(C)C(C)C)CC1.
What is the InChIKey of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is BRUFWUANHCCIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-16(7-2)8-11-18(12-9-16)13-10-17-15(5)14(3)4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine?
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 63163464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).