3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine

C16H28N2 — CID 65482929

IUPAC3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine
SMILESCC(N)C(N(C)CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-13(17)15(16(2,3)4)18(5)12-11-14-9-7-6-8-10-14/h6-10,13,15H,11-12,17H2,1-5H3
InChIKeyMSPLMHSJJCQYCZ-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.92
Rot. Bonds5

About 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine

3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine (PubChem CID 65482929) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine
PubChem CID65482929
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine
SMILESCC(N)C(N(C)CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-13(17)15(16(2,3)4)18(5)12-11-14-9-7-6-8-10-14/h6-10,13,15H,11-12,17H2,1-5H3
InChIKeyMSPLMHSJJCQYCZ-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
1-(5-bromothiophen-2-yl)-1-N-methyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 65482741
3-[methyl(2-phenylethyl)amino]butan-2-ol
CID 65485936
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
1-N-(3,3-dimethylbutan-2-yl)-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929647
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
2-[1-aminoethyl(2-phenylethyl)amino]ethanol
CID 174769140
2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65483135
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
CID 65487407

Frequently Asked Questions

What is the IUPAC name of 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine?
The IUPAC name of 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine (CID 65482929) is 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine.
What is the SMILES notation for 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine?
The canonical SMILES for 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine is CC(N)C(N(C)CCc1ccccc1)C(C)(C)C.
What is the InChIKey of 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine?
The InChIKey is MSPLMHSJJCQYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(17)15(16(2,3)4)18(5)12-11-14-9-7-6-8-10-14/h6-10,13,15H,11-12,17H2,1-5H3.
What are the key properties of 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine?
3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine is sourced from PubChem (CID 65482929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).