2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine

C17H30N2 — CID 43100072

IUPAC2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine
SMILESCC(C)CC(NCC(C)(C)N(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-14(2)12-16(15-10-8-7-9-11-15)18-13-17(3,4)19(5)6/h7-11,14,16,18H,12-13H2,1-6H3
InChIKeyWMWLBNYNGCNIHQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.70
Rot. Bonds7

About 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine (PubChem CID 43100072) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine
PubChem CID43100072
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine
SMILESCC(C)CC(NCC(C)(C)N(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-14(2)12-16(15-10-8-7-9-11-15)18-13-17(3,4)19(5)6/h7-11,14,16,18H,12-13H2,1-6H3
InChIKeyWMWLBNYNGCNIHQ-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103463479
3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 43096327
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 61324922
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine
CID 62977565
3-methyl-N-(2-methylsulfanylethyl)-1-phenylbutan-1-amine
CID 60697526
1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767790
1,1-dimethyl-3-[2-[(3-methyl-1-phenylbutyl)amino]ethyl]urea
CID 83117113
1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 103729480

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine (CID 43100072) is 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine is CC(C)CC(NCC(C)(C)N(C)C)c1ccccc1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine?
The InChIKey is WMWLBNYNGCNIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(2)12-16(15-10-8-7-9-11-15)18-13-17(3,4)19(5)6/h7-11,14,16,18H,12-13H2,1-6H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine is sourced from PubChem (CID 43100072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).