3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine

C12H24N2 — CID 130949022

IUPAC3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine
SMILESC=C1CCN(CC(N)C(C)(C)C)CC1
InChIInChI=1S/C12H24N2/c1-10-5-7-14(8-6-10)9-11(13)12(2,3)4/h11H,1,5-9,13H2,2-4H3
InChIKeyWSSYZQUVBBTGHB-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.01
Rot. Bonds2

About 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine

3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine (PubChem CID 130949022) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine
PubChem CID130949022
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine
SMILESC=C1CCN(CC(N)C(C)(C)C)CC1
InChIInChI=1S/C12H24N2/c1-10-5-7-14(8-6-10)9-11(13)12(2,3)4/h11H,1,5-9,13H2,2-4H3
InChIKeyWSSYZQUVBBTGHB-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine
CID 130834810
1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine
CID 43585962
(2R)-3,3-dimethyl-1-(2-methylmorpholin-4-yl)butan-2-amine
CID 130522025
1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 43592748
4-O-[2-[[(E)-4-methoxy-4-oxobut-2-enoyl]oxymethyl]-3-(4-methylidenepiperidin-1-yl)propyl] 1-O-methyl (E)-but-2-enedioate
CID 122436274
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 82746824
4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione
CID 58799780
1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine
CID 176871085
(2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
CID 131140813
1-[(4-methylidenepiperidin-1-yl)methyl]cyclopentan-1-amine
CID 130765907
3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine
CID 43199421
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine (CID 130949022) is 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine is C=C1CCN(CC(N)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine?
The InChIKey is WSSYZQUVBBTGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-5-7-14(8-6-10)9-11(13)12(2,3)4/h11H,1,5-9,13H2,2-4H3.
What are the key properties of 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine?
3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine has a molecular weight of 196.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 130949022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).