N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine

C12H24N2 — CID 107908367

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C12H24N2/c1-5-11(2)13-10-12(3)6-8-14(4)9-7-12/h5,11,13H,1,6-10H2,2-4H3
InChIKeySPWZYBSLESHOQY-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine (PubChem CID 107908367) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine
PubChem CID107908367
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C12H24N2/c1-5-11(2)13-10-12(3)6-8-14(4)9-7-12/h5,11,13H,1,6-10H2,2-4H3
InChIKeySPWZYBSLESHOQY-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
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

3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine
CID 107163558
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide
CID 107164199
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-propan-2-ylthiourea
CID 103975349
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113364654
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
CID 107906914
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107164561
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
CID 107163692
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
CID 107163797

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine (CID 107908367) is N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine is C=CC(C)NCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine?
The InChIKey is SPWZYBSLESHOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-11(2)13-10-12(3)6-8-14(4)9-7-12/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine is sourced from PubChem (CID 107908367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).