N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine

C18H30N2 — CID 167082295

IUPACN,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine
SMILESC=C/C=C(\C=C/CC(=C)C)CN1CCC(N(C)C)CC1
InChIInChI=1S/C18H30N2/c1-6-8-17(10-7-9-16(2)3)15-20-13-11-18(12-14-20)19(4)5/h6-8,10,18H,1-2,9,11-15H2,3-5H3/b10-7-,17-8+
InChIKeyGSNMLEVMOUFPCJ-FBZDSWJDSA-N
MW274.45 g/mol
LogP3.65
Rot. Bonds7

About N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine

N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine (PubChem CID 167082295) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine
PubChem CID167082295
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine
SMILESC=C/C=C(\C=C/CC(=C)C)CN1CCC(N(C)C)CC1
InChIInChI=1S/C18H30N2/c1-6-8-17(10-7-9-16(2)3)15-20-13-11-18(12-14-20)19(4)5/h6-8,10,18H,1-2,9,11-15H2,3-5H3/b10-7-,17-8+
InChIKeyGSNMLEVMOUFPCJ-FBZDSWJDSA-N
XLogP3.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine
CID 144685440
3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106745730
1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine
CID 123499743
4-[4-(dimethylamino)piperidin-1-yl]-2-methylbut-2-enoic acid
CID 77074623
[(2E)-2-ethenylpenta-2,4-dienyl] 4-(dimethylamino)azepane-1-carboxylate
CID 143632095
1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine
CID 116679450
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide
CID 142018553
2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide
CID 138741369
1-ethenyl-N,N-dimethylpiperidin-4-amine
CID 163632866
1-[(E)-but-2-en-2-yl]-N,N-dimethylpiperidin-4-amine
CID 144864042
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine
CID 143302699

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine (CID 167082295) is N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine is C=C/C=C(\C=C/CC(=C)C)CN1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine?
The InChIKey is GSNMLEVMOUFPCJ-FBZDSWJDSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-8-17(10-7-9-16(2)3)15-20-13-11-18(12-14-20)19(4)5/h6-8,10,18H,1-2,9,11-15H2,3-5H3/b10-7-,17-8+.
What are the key properties of N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine?
N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine is sourced from PubChem (CID 167082295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).