1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine

C18H28N2 — CID 130178455

IUPAC1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine
SMILESC=C/C(C)=C\C(=C/C)NC1CCN(C(=C)C(=C)C)CC1
InChIInChI=1S/C18H28N2/c1-7-15(5)13-17(8-2)19-18-9-11-20(12-10-18)16(6)14(3)4/h7-8,13,18-19H,1,3,6,9-12H2,2,4-5H3/b15-13-,17-8+
InChIKeyLRHCSXYEYRRFQR-LDYCDDIBSA-N
MW272.44 g/mol
LogP4.17
Rot. Bonds6

About 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine

1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine (PubChem CID 130178455) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine
PubChem CID130178455
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine
SMILESC=C/C(C)=C\C(=C/C)NC1CCN(C(=C)C(=C)C)CC1
InChIInChI=1S/C18H28N2/c1-7-15(5)13-17(8-2)19-18-9-11-20(12-10-18)16(6)14(3)4/h7-8,13,18-19H,1,3,6,9-12H2,2,4-5H3/b15-13-,17-8+
InChIKeyLRHCSXYEYRRFQR-LDYCDDIBSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-2-enamide
CID 135183234
N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
CID 143501789
N-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)piperidin-4-amine
CID 178001600
1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine
CID 123361966
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine
CID 143564646
1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one
CID 143074790
2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
CID 113223568
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine
CID 89294364
[3-[4-(2-methylprop-2-enoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927552

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine (CID 130178455) is 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine is C=C/C(C)=C\C(=C/C)NC1CCN(C(=C)C(=C)C)CC1.
What is the InChIKey of 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine?
The InChIKey is LRHCSXYEYRRFQR-LDYCDDIBSA-N. The full InChI is InChI=1S/C18H28N2/c1-7-15(5)13-17(8-2)19-18-9-11-20(12-10-18)16(6)14(3)4/h7-8,13,18-19H,1,3,6,9-12H2,2,4-5H3/b15-13-,17-8+.
What are the key properties of 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine?
1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine is sourced from PubChem (CID 130178455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).