(E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine

C20H34N2 — CID 143959373

IUPAC(E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine
SMILESC=C1C=CC=CN1/C(NC(CC)CCCC)=C(\C)C(C)CC
InChIInChI=1S/C20H34N2/c1-7-10-14-19(9-3)21-20(18(6)16(4)8-2)22-15-12-11-13-17(22)5/h11-13,15-16,19,21H,5,7-10,14H2,1-4,6H3/b20-18+
InChIKeyBHTDUGIUSIZRRN-CZIZESTLSA-N
MW302.51 g/mol
LogP5.72
Rot. Bonds9

About (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine

(E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine (PubChem CID 143959373) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine
PubChem CID143959373
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name(E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine
SMILESC=C1C=CC=CN1/C(NC(CC)CCCC)=C(\C)C(C)CC
InChIInChI=1S/C20H34N2/c1-7-10-14-19(9-3)21-20(18(6)16(4)8-2)22-15-12-11-13-17(22)5/h11-13,15-16,19,21H,5,7-10,14H2,1-4,6H3/b20-18+
InChIKeyBHTDUGIUSIZRRN-CZIZESTLSA-N
XLogP5.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine
CID 164558181
4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine
CID 164558277
(6R)-2-N-methyl-2-N-(2-methylpropyl)-6-N-[[3-[[[(3E)-6-(2-methylpropylamino)octa-1,3-dien-2-yl]amino]methyl]-1-pyridinyl]methyl]nona-3,4-diene-2,6-diamine
CID 126727173
(E)-N-but-1-en-2-yl-5-[4-[1-(dimethylamino)ethenyl]-3-methyl-5-methylidenecyclohexa-1,3-dien-1-yl]hex-1-en-1-amine
CID 135233711
2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine
CID 138498288
(1Z)-4-N-[3-(cyclopropylmethyl)hex-1-en-2-yl]-1-N-methyl-1-N-[(piperidin-4-ylmethylamino)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine
CID 138511914
4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole
CID 142833286
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane
CID 143358262
N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine
CID 143959375
N'-[(3E,5Z)-3,7-dimethylocta-1,3,5-trien-2-yl]-N'-methyl-N-[3-(6-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]methanediamine
CID 146396091
6-cyclohexa-2,4-dien-1-yl-2-cyclohex-3-en-1-yl-4-[4-[(Z)-hept-2-en-4-yl]cyclohex-3-en-1-yl]-3-methyl-2,4-dihydro-1H-pyrimidine
CID 155419551
(7Z)-3-but-1-en-2-yl-6-(2,4-dimethylpenta-1,3-dien-3-yl)-2-methylidene-4-prop-1-en-2-yl-4,5,6,9-tetrahydro-1H-1,3-diazonine
CID 156071736

Frequently Asked Questions

What is the IUPAC name of (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine?
The IUPAC name of (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine (CID 143959373) is (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine.
What is the SMILES notation for (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine?
The canonical SMILES for (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine is C=C1C=CC=CN1/C(NC(CC)CCCC)=C(\C)C(C)CC.
What is the InChIKey of (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine?
The InChIKey is BHTDUGIUSIZRRN-CZIZESTLSA-N. The full InChI is InChI=1S/C20H34N2/c1-7-10-14-19(9-3)21-20(18(6)16(4)8-2)22-15-12-11-13-17(22)5/h11-13,15-16,19,21H,5,7-10,14H2,1-4,6H3/b20-18+.
What are the key properties of (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine?
(E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine has a molecular weight of 302.51 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine is sourced from PubChem (CID 143959373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).