N-but-3-en-2-yl-3-methylpiperidin-4-amine

C10H20N2 — CID 130590143

IUPACN-but-3-en-2-yl-3-methylpiperidin-4-amine
SMILESC=CC(C)NC1CCNCC1C
InChIInChI=1S/C10H20N2/c1-4-9(3)12-10-5-6-11-7-8(10)2/h4,8-12H,1,5-7H2,2-3H3
InChIKeyDJDNGLMAWJJIDJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.15
Rot. Bonds3

About N-but-3-en-2-yl-3-methylpiperidin-4-amine

N-but-3-en-2-yl-3-methylpiperidin-4-amine (PubChem CID 130590143) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-methylpiperidin-4-amine
PubChem CID130590143
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-but-3-en-2-yl-3-methylpiperidin-4-amine
SMILESC=CC(C)NC1CCNCC1C
InChIInChI=1S/C10H20N2/c1-4-9(3)12-10-5-6-11-7-8(10)2/h4,8-12H,1,5-7H2,2-3H3
InChIKeyDJDNGLMAWJJIDJ-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120553440
(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
CID 99714412
N-(2,3-dimethylcyclobutyl)-3-methylpiperidin-4-amine
CID 131162880
(3R,4R)-3-ethenyl-4-methylpiperidine
CID 142007594
3-methyl-4-propan-2-ylpiperidine
CID 58394699
3-methyl-N-(4-methylthiolan-3-yl)piperidin-4-amine
CID 127017092
3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
CID 120724931
3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 59304222
(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride
CID 67295221
2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
CID 79887328
N-(3-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 79886370
N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide
CID 115774843

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-methylpiperidin-4-amine?
The IUPAC name of N-but-3-en-2-yl-3-methylpiperidin-4-amine (CID 130590143) is N-but-3-en-2-yl-3-methylpiperidin-4-amine.
What is the SMILES notation for N-but-3-en-2-yl-3-methylpiperidin-4-amine?
The canonical SMILES for N-but-3-en-2-yl-3-methylpiperidin-4-amine is C=CC(C)NC1CCNCC1C.
What is the InChIKey of N-but-3-en-2-yl-3-methylpiperidin-4-amine?
The InChIKey is DJDNGLMAWJJIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-9(3)12-10-5-6-11-7-8(10)2/h4,8-12H,1,5-7H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-3-methylpiperidin-4-amine?
N-but-3-en-2-yl-3-methylpiperidin-4-amine has a molecular weight of 168.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-methylpiperidin-4-amine is sourced from PubChem (CID 130590143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).