1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine

C17H30N2 — CID 158239559

IUPAC1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine
SMILESC=CC(=C)N1CCCC(N(CC2CC2)C(C)(C)C)C1
InChIInChI=1S/C17H30N2/c1-6-14(2)18-11-7-8-16(13-18)19(17(3,4)5)12-15-9-10-15/h6,15-16H,1-2,7-13H2,3-5H3
InChIKeyUVXDRXYDTDYDJH-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.66
Rot. Bonds5

About 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine

1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine (PubChem CID 158239559) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine
PubChem CID158239559
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine
SMILESC=CC(=C)N1CCCC(N(CC2CC2)C(C)(C)C)C1
InChIInChI=1S/C17H30N2/c1-6-14(2)18-11-7-8-16(13-18)19(17(3,4)5)12-15-9-10-15/h6,15-16H,1-2,7-13H2,3-5H3
InChIKeyUVXDRXYDTDYDJH-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 144662372
(3R,6R)-1-buta-1,3-dien-2-yl-N,N,6-trimethylpiperidin-3-amine
CID 166764331
1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine
CID 158239558
(3S,6S)-1-buta-1,3-dien-2-yl-N,N,6-trimethylpiperidin-3-amine
CID 159678911
(3S)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-methylpiperidin-3-amine
CID 159678913
(3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-methylpiperidin-3-amine
CID 159678914
(3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine
CID 159678915
1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine
CID 159678916
1-buta-1,3-dien-2-yl-N-tert-butyl-N-methylpiperidin-3-amine
CID 162070177

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine?
The IUPAC name of 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine (CID 158239559) is 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine is C=CC(=C)N1CCCC(N(CC2CC2)C(C)(C)C)C1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine?
The InChIKey is UVXDRXYDTDYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-14(2)18-11-7-8-16(13-18)19(17(3,4)5)12-15-9-10-15/h6,15-16H,1-2,7-13H2,3-5H3.
What are the key properties of 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine?
1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine has a molecular weight of 262.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-N-tert-butyl-N-(cyclopropylmethyl)piperidin-3-amine is sourced from PubChem (CID 158239559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).