1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine

C15H26N2 — CID 54954174

IUPAC1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
SMILESCC(NC(CN(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C15H26N2/c1-12(2)15(11-17(4)5)16-13(3)14-9-7-6-8-10-14/h6-10,12-13,15-16H,11H2,1-5H3
InChIKeyMOYQOTLGPUGCNX-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.92
Rot. Bonds6

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

1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine (PubChem CID 54954174) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
PubChem CID54954174
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
SMILESCC(NC(CN(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C15H26N2/c1-12(2)15(11-17(4)5)16-13(3)14-9-7-6-8-10-14/h6-10,12-13,15-16H,11H2,1-5H3
InChIKeyMOYQOTLGPUGCNX-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol
CID 54953461
2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953620
2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476456
2-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476972
2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477090
2-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477091
N-[1-(4-iodophenyl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768392
2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476075
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-phenylpropanenitrile
CID 64538244
3-methyl-2-[1-(4-phenylphenyl)ethylamino]butan-1-ol
CID 79236662
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine (CID 54954174) is 1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine is CC(NC(CN(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine?
The InChIKey is MOYQOTLGPUGCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)15(11-17(4)5)16-13(3)14-9-7-6-8-10-14/h6-10,12-13,15-16H,11H2,1-5H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.92, 6 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-(1-phenylethyl)butane-1,2-diamine is sourced from PubChem (CID 54954174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).