2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine

C16H28N2 — CID 114992436

IUPAC2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine
SMILESCCCC(C)N(C)C(C)(CN)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-5-9-14(2)18(4)16(3,13-17)12-15-10-7-6-8-11-15/h6-8,10-11,14H,5,9,12-13,17H2,1-4H3
InChIKeyHESDNYBWUQWIEN-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.07
Rot. Bonds7

About 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine

2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine (PubChem CID 114992436) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine
PubChem CID114992436
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine
SMILESCCCC(C)N(C)C(C)(CN)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-5-9-14(2)18(4)16(3,13-17)12-15-10-7-6-8-11-15/h6-8,10-11,14H,5,9,12-13,17H2,1-4H3
InChIKeyHESDNYBWUQWIEN-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine (CID 114992436) is 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine is CCCC(C)N(C)C(C)(CN)Cc1ccccc1.
What is the InChIKey of 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine?
The InChIKey is HESDNYBWUQWIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-9-14(2)18(4)16(3,13-17)12-15-10-7-6-8-11-15/h6-8,10-11,14H,5,9,12-13,17H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine?
2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 114992436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).