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

C16H26N2 — CID 113288131

IUPAC1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine
SMILESC=C(CNC(CN(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13(2)16(12-18(4)5)17-11-14(3)15-9-7-6-8-10-15/h6-10,13,16-17H,3,11-12H2,1-2,4-5H3
InChIKeyDFRGCTXQUIQFOB-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.88
Rot. Bonds7

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

1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine (PubChem CID 113288131) 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-(2-phenylprop-2-enyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine
PubChem CID113288131
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine
SMILESC=C(CNC(CN(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13(2)16(12-18(4)5)17-11-14(3)15-9-7-6-8-10-15/h6-10,13,16-17H,3,11-12H2,1-2,4-5H3
InChIKeyDFRGCTXQUIQFOB-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

N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 54954174
1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-ynyl)butane-1,2-diamine
CID 62340036
N-benzyl-2-methyl-5-phenylhex-5-en-3-amine
CID 102298345
methyl 2-(2-phenylprop-2-enylamino)propanoate
CID 115328198
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043954
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328414
1-N,1-N,3-trimethyl-2-N-(3-phenylpropyl)butane-1,2-diamine
CID 54953976

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine (CID 113288131) is 1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine is C=C(CNC(CN(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine?
The InChIKey is DFRGCTXQUIQFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)16(12-18(4)5)17-11-14(3)15-9-7-6-8-10-15/h6-10,13,16-17H,3,11-12H2,1-2,4-5H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-(2-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-(2-phenylprop-2-enyl)butane-1,2-diamine is sourced from PubChem (CID 113288131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).