N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine

C13H24N2 — CID 144655866

IUPACN-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine
SMILESC=CC(=C)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H24N2/c1-5-12(4)14-13-6-8-15(9-7-13)10-11(2)3/h5,11,13-14H,1,4,6-10H2,2-3H3
InChIKeyBVNBAVDKHKVINY-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.40
Rot. Bonds5

About N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine

N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 144655866) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine
PubChem CID144655866
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine
SMILESC=CC(=C)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H24N2/c1-5-12(4)14-13-6-8-15(9-7-13)10-11(2)3/h5,11,13-14H,1,4,6-10H2,2-3H3
InChIKeyBVNBAVDKHKVINY-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115717138
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115901349
2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119841092
2-methyl-3-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 119841116
4-ethenyl-1-(2-methylpropyl)piperidine
CID 138457613
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
N-cyclopent-3-en-1-yl-1-(2-methylpropyl)piperidin-4-amine
CID 115728351
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1-thione
CID 88872745

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine (CID 144655866) is N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine is C=CC(=C)NC1CCN(CC(C)C)CC1.
What is the InChIKey of N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is BVNBAVDKHKVINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-12(4)14-13-6-8-15(9-7-13)10-11(2)3/h5,11,13-14H,1,4,6-10H2,2-3H3.
What are the key properties of N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine?
N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 208.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 144655866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).