2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine

C16H28N2 — CID 116913308

IUPAC2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
SMILESCCC(CN)C(c1ccc(C(C)C)cc1)N(C)C
InChIInChI=1S/C16H28N2/c1-6-13(11-17)16(18(4)5)15-9-7-14(8-10-15)12(2)3/h7-10,12-13,16H,6,11,17H2,1-5H3
InChIKeyLZLOYASLFVYBCE-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.40
Rot. Bonds6

About 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine

2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine (PubChem CID 116913308) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
PubChem CID116913308
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
SMILESCCC(CN)C(c1ccc(C(C)C)cc1)N(C)C
InChIInChI=1S/C16H28N2/c1-6-13(11-17)16(18(4)5)15-9-7-14(8-10-15)12(2)3/h7-10,12-13,16H,6,11,17H2,1-5H3
InChIKeyLZLOYASLFVYBCE-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine
CID 116913369
2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol
CID 116911554
2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 61082952
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913486
2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 79412165
N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 116904701
N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 114231042
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116911721
2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine
CID 115137983
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 112501179

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine (CID 116913308) is 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine is CCC(CN)C(c1ccc(C(C)C)cc1)N(C)C.
What is the InChIKey of 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine?
The InChIKey is LZLOYASLFVYBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-13(11-17)16(18(4)5)15-9-7-14(8-10-15)12(2)3/h7-10,12-13,16H,6,11,17H2,1-5H3.
What are the key properties of 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine?
2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116913308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).