(1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine

C11H20N2 — CID 144921620

IUPAC(1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N)N1CCC(C)CC1
InChIInChI=1S/C11H20N2/c1-9(2)8-11(12)13-6-4-10(3)5-7-13/h8,10H,1,4-7,12H2,2-3H3/b11-8+
InChIKeyBPVHDYAWMRCLQF-DHZHZOJOSA-N
MW180.29 g/mol
LogP2.09
Rot. Bonds2

About (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine

(1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine (PubChem CID 144921620) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine
PubChem CID144921620
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N)N1CCC(C)CC1
InChIInChI=1S/C11H20N2/c1-9(2)8-11(12)13-6-4-10(3)5-7-13/h8,10H,1,4-7,12H2,2-3H3/b11-8+
InChIKeyBPVHDYAWMRCLQF-DHZHZOJOSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.09
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

1-(4-Methylpiperidin-1-yl)ethenamine
CID 21341319
(E)-1-(4-methylpiperidin-1-yl)prop-1-en-1-amine
CID 67892212
(2E,4E)-5-amino-2-ethenyl-5-(4-methylpiperidin-1-yl)penta-2,4-dienenitrile
CID 89091974
N-[(1Z,3Z)-3-methyl-1-(4-methylpiperidin-1-yl)penta-1,3-dienyl]methanimine
CID 132150718
1-(4-Ethylpiperidin-1-yl)ethenamine
CID 141851290
(1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine;ethane
CID 142187232
Ethane;1-(4-methylpiperidin-1-yl)ethenamine
CID 143246259
Ethane;1-(4-methylpiperidin-1-yl)ethenamine
CID 143877129
N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
CID 156726917
1-(4-Prop-2-enylpiperidin-1-yl)ethenamine
CID 141931881
1-(4-Prop-1-en-2-ylpiperidin-1-yl)ethenamine
CID 141967724
(1E,3E)-1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylhexa-1,3,5-trien-1-amine
CID 142187233

Frequently Asked Questions

What is the IUPAC name of (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine (CID 144921620) is (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine is C=C(C)/C=C(\N)N1CCC(C)CC1.
What is the InChIKey of (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine?
The InChIKey is BPVHDYAWMRCLQF-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)8-11(12)13-6-4-10(3)5-7-13/h8,10H,1,4-7,12H2,2-3H3/b11-8+.
What are the key properties of (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine?
(1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-methyl-1-(4-methylpiperidin-1-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 144921620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).