N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine

C16H26N2 — CID 169001085

IUPACN,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine
SMILESC/C=C(/CCN(C)CCNC)c1ccccc1C
InChIInChI=1S/C16H26N2/c1-5-15(10-12-18(4)13-11-17-3)16-9-7-6-8-14(16)2/h5-9,17H,10-13H2,1-4H3/b15-5-
InChIKeyPXQNQGRLLOFAAU-WCSRMQSCSA-N
MW246.40 g/mol
LogP2.94
Rot. Bonds7

About N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine (PubChem CID 169001085) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine
PubChem CID169001085
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine
SMILESC/C=C(/CCN(C)CCNC)c1ccccc1C
InChIInChI=1S/C16H26N2/c1-5-15(10-12-18(4)13-11-17-3)16-9-7-6-8-14(16)2/h5-9,17H,10-13H2,1-4H3/b15-5-
InChIKeyPXQNQGRLLOFAAU-WCSRMQSCSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N,N-dimethyl-3-(2-methylphenyl)pent-3-en-1-amine
CID 167306993
2-amino-2-methyl-N-[(Z)-3-(2-methylphenyl)pent-3-enyl]propanamide
CID 71216786
N-methyl-4-(2-methylphenyl)pent-3-en-1-amine
CID 79599588
3-[methyl-[2-(methylamino)ethyl]amino]-1,1-diphenylpropan-1-ol;dihydrochloride
CID 70578560
N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 154392461
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
1-methyl-2-oct-4-en-4-ylbenzene
CID 86019229
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413
(Z)-2-methyl-4-(2-methylphenyl)hex-4-enamide
CID 142370556
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine (CID 169001085) is N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine is C/C=C(/CCN(C)CCNC)c1ccccc1C.
What is the InChIKey of N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine?
The InChIKey is PXQNQGRLLOFAAU-WCSRMQSCSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-15(10-12-18(4)13-11-17-3)16-9-7-6-8-14(16)2/h5-9,17H,10-13H2,1-4H3/b15-5-.
What are the key properties of N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine is sourced from PubChem (CID 169001085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).