2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine

C19H34N2 — CID 79057289

IUPAC2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccc(C(C)C)cc1)C(C)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-8-14-20-18(19(5,9-2)21(6)7)17-12-10-16(11-13-17)15(3)4/h10-13,15,18,20H,8-9,14H2,1-7H3
InChIKeyIVUYRAGQLBITRR-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.58
Rot. Bonds8

About 2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine

2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine (PubChem CID 79057289) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
PubChem CID79057289
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccc(C(C)C)cc1)C(C)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-8-14-20-18(19(5,9-2)21(6)7)17-12-10-16(11-13-17)15(3)4/h10-13,15,18,20H,8-9,14H2,1-7H3
InChIKeyIVUYRAGQLBITRR-UHFFFAOYSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79064609
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
CID 79063909
1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063546
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 114656777
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
1-(3-chlorophenyl)-2-N,2-N-diethyl-2-methyl-1-N-propylbutane-1,2-diamine
CID 79058576
1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059844
1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 114519558
1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 79059100

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine (CID 79057289) is 2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine is CCCNC(c1ccc(C(C)C)cc1)C(C)(CC)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine?
The InChIKey is IVUYRAGQLBITRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-14-20-18(19(5,9-2)21(6)7)17-12-10-16(11-13-17)15(3)4/h10-13,15,18,20H,8-9,14H2,1-7H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine?
2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.58, 8 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-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79057289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).