1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine

C16H26N2 — CID 76940438

IUPAC1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine
SMILESCC(C)C(CN(C)C)NCC=Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-14(2)16(13-18(3)4)17-12-8-11-15-9-6-5-7-10-15/h5-11,14,16-17H,12-13H2,1-4H3
InChIKeyYYOAMNZEXISHHV-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.88
Rot. Bonds7

About 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine (PubChem CID 76940438) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine
PubChem CID76940438
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine
SMILESCC(C)C(CN(C)C)NCC=Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-14(2)16(13-18(3)4)17-12-8-11-15-9-6-5-7-10-15/h5-11,14,16-17H,12-13H2,1-4H3
InChIKeyYYOAMNZEXISHHV-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
CID 77055971
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336
3-methyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid;hydrochloride
CID 51051827
N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine
CID 104582439
1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-ynyl)butane-1,2-diamine
CID 62340036
(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine
CID 59058683
1-N,1-N,3-trimethyl-2-N-(3-phenylpropyl)butane-1,2-diamine
CID 54953976
2-(3-phenylprop-2-enylamino)propane-1,3-diol
CID 77065033

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine (CID 76940438) is 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine is CC(C)C(CN(C)C)NCC=Cc1ccccc1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine?
The InChIKey is YYOAMNZEXISHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)16(13-18(3)4)17-12-8-11-15-9-6-5-7-10-15/h5-11,14,16-17H,12-13H2,1-4H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine is sourced from PubChem (CID 76940438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).