(3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine

C15H28N2 — CID 159678915

IUPAC(3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine
SMILESC=CC(=C)N1CCC[C@@H](N(CC)C(C)(C)C)C1
InChIInChI=1S/C15H28N2/c1-7-13(3)16-11-9-10-14(12-16)17(8-2)15(4,5)6/h7,14H,1,3,8-12H2,2,4-6H3/t14-/m1/s1
InChIKeyFLDMRGZXNRFQRI-CQSZACIVSA-N
MW236.40 g/mol
LogP3.27
Rot. Bonds4

About (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine

(3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine (PubChem CID 159678915) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine
PubChem CID159678915
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine
SMILESC=CC(=C)N1CCC[C@@H](N(CC)C(C)(C)C)C1
InChIInChI=1S/C15H28N2/c1-7-13(3)16-11-9-10-14(12-16)17(8-2)15(4,5)6/h7,14H,1,3,8-12H2,2,4-6H3/t14-/m1/s1
InChIKeyFLDMRGZXNRFQRI-CQSZACIVSA-N
XLogP3.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine with MolForge

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Related Compounds

1-buta-1,3-dien-2-yl-3-methylpiperidine
CID 145201276
1-[3-[ethyl(methyl)amino]piperidin-1-yl]prop-2-en-1-one
CID 155030706
1-buta-1,3-dien-2-yl-3-pentylpiperidine
CID 135219142
4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine
CID 139337863
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
CID 67045293
1-[3-(dimethylamino)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79280252
tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566208
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide
CID 66567687
tert-butyl 3-[[(Z)-2-amino-3-sulfanylprop-2-enoyl]-ethylamino]piperidine-1-carboxylate
CID 168890437
2-[1-[cyclopentyl(ethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691355

Frequently Asked Questions

What is the IUPAC name of (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine?
The IUPAC name of (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine (CID 159678915) is (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine?
The canonical SMILES for (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine is C=CC(=C)N1CCC[C@@H](N(CC)C(C)(C)C)C1.
What is the InChIKey of (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine?
The InChIKey is FLDMRGZXNRFQRI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28N2/c1-7-13(3)16-11-9-10-14(12-16)17(8-2)15(4,5)6/h7,14H,1,3,8-12H2,2,4-6H3/t14-/m1/s1.
What are the key properties of (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine?
(3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine has a molecular weight of 236.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine is sourced from PubChem (CID 159678915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).