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

C12H24N2 — CID 130834810

IUPAC(2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine
SMILESC=C1CCN(C[C@H](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/t11-/m0/s1
InChIKeyWSSYZQUVBBTGHB-NSHDSACASA-N
MW196.34 g/mol
LogP2.01
Rot. Bonds2

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

(2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine (PubChem CID 130834810) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine
PubChem CID130834810
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine
SMILESC=C1CCN(C[C@H](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/t11-/m0/s1
InChIKeyWSSYZQUVBBTGHB-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine?
The IUPAC name of (2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine (CID 130834810) is (2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine.
What is the SMILES notation for (2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine?
The canonical SMILES for (2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine is C=C1CCN(C[C@H](N)C(C)(C)C)CC1.
What is the InChIKey of (2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine?
The InChIKey is WSSYZQUVBBTGHB-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine?
(2R)-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 (2R)-3,3-dimethyl-1-(4-methylidenepiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 130834810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).