(1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine

C15H27N3 — CID 142187233

IUPAC(1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)/C=C(\N)N1CCCC(CN(C)C)C1
InChIInChI=1S/C15H27N3/c1-5-7-13(2)10-15(16)18-9-6-8-14(12-18)11-17(3)4/h5,7,10,14H,1,6,8-9,11-12,16H2,2-4H3/b13-7+,15-10+
InChIKeyHSQLHDNECGTASH-OOVVNSOSSA-N
MW249.40 g/mol
LogP2.19
Rot. Bonds5

About (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine

(1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine (PubChem CID 142187233) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine
PubChem CID142187233
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)/C=C(\N)N1CCCC(CN(C)C)C1
InChIInChI=1S/C15H27N3/c1-5-7-13(2)10-15(16)18-9-6-8-14(12-18)11-17(3)4/h5,7,10,14H,1,6,8-9,11-12,16H2,2-4H3/b13-7+,15-10+
InChIKeyHSQLHDNECGTASH-OOVVNSOSSA-N
XLogP2.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-amino-2-ethenyl-5-(4-methylpiperidin-1-yl)penta-2,4-dienenitrile
CID 89091974
(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406497
(1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine;ethane
CID 142187232
(Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine
CID 144862396
(1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine
CID 144921620
(1E,3Z)-1-(3-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine
CID 155737997
(1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine
CID 167069355
[2-[(3R)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine
CID 86340909
[2-[(3S)-3-methylpiperidin-1-yl]-1,2-dihydropyridin-3-yl]methanamine
CID 86340910
4-methyl-N-[[(3R)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine
CID 86341227
4-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-dihydropyridin-2-amine
CID 86341228

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine (CID 142187233) is (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine is C=C/C=C(C)/C=C(\N)N1CCCC(CN(C)C)C1.
What is the InChIKey of (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine?
The InChIKey is HSQLHDNECGTASH-OOVVNSOSSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-7-13(2)10-15(16)18-9-6-8-14(12-18)11-17(3)4/h5,7,10,14H,1,6,8-9,11-12,16H2,2-4H3/b13-7+,15-10+.
What are the key properties of (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine?
(1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 142187233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).