N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline

C17H21N — CID 142925747

IUPACN-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline
SMILESC=C(/C=C\C)N(C(=C)C1CC1C)c1ccccc1
InChIInChI=1S/C17H21N/c1-5-9-14(3)18(15(4)17-12-13(17)2)16-10-7-6-8-11-16/h5-11,13,17H,3-4,12H2,1-2H3/b9-5-
InChIKeyBGZJWJMPCJEMGD-UITAMQMPSA-N
MW239.36 g/mol
LogP4.75
Rot. Bonds5

About N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline

N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline (PubChem CID 142925747) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline.

Molecular Properties

Compound NameN-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline
PubChem CID142925747
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline
SMILESC=C(/C=C\C)N(C(=C)C1CC1C)c1ccccc1
InChIInChI=1S/C17H21N/c1-5-9-14(3)18(15(4)17-12-13(17)2)16-10-7-6-8-11-16/h5-11,13,17H,3-4,12H2,1-2H3/b9-5-
InChIKeyBGZJWJMPCJEMGD-UITAMQMPSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline
CID 126671211
4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine
CID 143477598
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
CID 142868290
2-N-[(3Z)-penta-1,3-dien-2-yl]-2-N-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 145083133
N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide
CID 102171844
N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline
CID 166829377
[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane
CID 142398112
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
2-(N-methylanilino)prop-2-enal
CID 88506227
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
N-phenyl-N-prop-1-en-2-yloxyaniline
CID 154332789

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline?
The IUPAC name of N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline (CID 142925747) is N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline.
What is the SMILES notation for N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline?
The canonical SMILES for N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline is C=C(/C=C\C)N(C(=C)C1CC1C)c1ccccc1.
What is the InChIKey of N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline?
The InChIKey is BGZJWJMPCJEMGD-UITAMQMPSA-N. The full InChI is InChI=1S/C17H21N/c1-5-9-14(3)18(15(4)17-12-13(17)2)16-10-7-6-8-11-16/h5-11,13,17H,3-4,12H2,1-2H3/b9-5-.
What are the key properties of N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline?
N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline is sourced from PubChem (CID 142925747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).