(5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine

C17H25N — CID 171560882

IUPAC(5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine
SMILESC=C(NCC)C(C)C/C(=C/C)c1ccccc1C
InChIInChI=1S/C17H25N/c1-6-16(12-14(4)15(5)18-7-2)17-11-9-8-10-13(17)3/h6,8-11,14,18H,5,7,12H2,1-4H3/b16-6-
InChIKeyOYXFBFHHWWMJGA-SOFYXZRVSA-N
MW243.39 g/mol
LogP4.55
Rot. Bonds6

About (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine

(5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine (PubChem CID 171560882) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine.

Molecular Properties

Compound Name(5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine
PubChem CID171560882
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine
SMILESC=C(NCC)C(C)C/C(=C/C)c1ccccc1C
InChIInChI=1S/C17H25N/c1-6-16(12-14(4)15(5)18-7-2)17-11-9-8-10-13(17)3/h6,8-11,14,18H,5,7,12H2,1-4H3/b16-6-
InChIKeyOYXFBFHHWWMJGA-SOFYXZRVSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-2-methyl-4-(2-methylphenyl)hex-4-enamide
CID 142370556
2,3-dimethylbut-3-enylbenzene;2-N-(3-methylbutan-2-yl)-2-N-(2-methylbutyl)-3-N-[(5Z)-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-yl]-4-phenylbut-1-ene-2,3-diamine
CID 142499160
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
(Z,2S)-2-azido-4-(2-methylphenyl)hex-4-enamide
CID 146276257
(Z)-N,N-dimethyl-3-(2-methylphenyl)pent-3-en-1-amine
CID 167306993
1-methyl-2-oct-4-en-4-ylbenzene
CID 86019229
1-[(3Z)-3-butan-2-yl-4-ethenylhepta-1,3-dien-2-yl]-2-methylbenzene
CID 144614570
1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne
CID 143048595
1-[(Z)-4-ethyl-5-methylhex-2-en-3-yl]-2-methylbenzene
CID 142305251
(Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one
CID 142003040
N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine
CID 169001085
(2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine
CID 155746820

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine?
The IUPAC name of (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine (CID 171560882) is (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine.
What is the SMILES notation for (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine?
The canonical SMILES for (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine is C=C(NCC)C(C)C/C(=C/C)c1ccccc1C.
What is the InChIKey of (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine?
The InChIKey is OYXFBFHHWWMJGA-SOFYXZRVSA-N. The full InChI is InChI=1S/C17H25N/c1-6-16(12-14(4)15(5)18-7-2)17-11-9-8-10-13(17)3/h6,8-11,14,18H,5,7,12H2,1-4H3/b16-6-.
What are the key properties of (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine?
(5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine is sourced from PubChem (CID 171560882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).