(3R)-1-but-3-enylpiperidin-3-amine

C9H18N2 — CID 102977540

IUPAC(3R)-1-but-3-enylpiperidin-3-amine
SMILESC=CCCN1CCC[C@@H](N)C1
InChIInChI=1S/C9H18N2/c1-2-3-6-11-7-4-5-9(10)8-11/h2,9H,1,3-8,10H2/t9-/m1/s1
InChIKeyKRFNBSUUZPAZFR-SECBINFHSA-N
MW154.26 g/mol
LogP0.99
Rot. Bonds3

About (3R)-1-but-3-enylpiperidin-3-amine

(3R)-1-but-3-enylpiperidin-3-amine (PubChem CID 102977540) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3R)-1-but-3-enylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-but-3-enylpiperidin-3-amine
PubChem CID102977540
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3R)-1-but-3-enylpiperidin-3-amine
SMILESC=CCCN1CCC[C@@H](N)C1
InChIInChI=1S/C9H18N2/c1-2-3-6-11-7-4-5-9(10)8-11/h2,9H,1,3-8,10H2/t9-/m1/s1
InChIKeyKRFNBSUUZPAZFR-SECBINFHSA-N
XLogP0.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.99
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

(3S)-1-pent-4-enylpyrrolidin-3-amine
CID 81491802
(3S)-1-hept-6-enylpyrrolidin-3-amine
CID 107008063
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
1-(2-bromoethyl)piperidin-3-amine
CID 130905726
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784
1-(3-cyclohexylpropyl)piperidin-3-amine
CID 102550649
2-(3-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 61297429
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
3-fluoro-1-pent-4-enylpiperidine
CID 163239212
1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 116616919
1-(3,3-diethoxypropyl)piperidin-3-amine
CID 63628953
(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine
CID 175905935

Frequently Asked Questions

What is the IUPAC name of (3R)-1-but-3-enylpiperidin-3-amine?
The IUPAC name of (3R)-1-but-3-enylpiperidin-3-amine (CID 102977540) is (3R)-1-but-3-enylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-but-3-enylpiperidin-3-amine?
The canonical SMILES for (3R)-1-but-3-enylpiperidin-3-amine is C=CCCN1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-but-3-enylpiperidin-3-amine?
The InChIKey is KRFNBSUUZPAZFR-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-6-11-7-4-5-9(10)8-11/h2,9H,1,3-8,10H2/t9-/m1/s1.
What are the key properties of (3R)-1-but-3-enylpiperidin-3-amine?
(3R)-1-but-3-enylpiperidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-but-3-enylpiperidin-3-amine is sourced from PubChem (CID 102977540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).