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

C15H26N2 — CID 116948977

IUPACN,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
SMILESCNC(c1ccc(C(C)C)cc1)C(C)(C)CN
InChIInChI=1S/C15H26N2/c1-11(2)12-6-8-13(9-7-12)14(17-5)15(3,4)10-16/h6-9,11,14,17H,10,16H2,1-5H3
InChIKeySVWSVFYSVOCMAJ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.06
Rot. Bonds5

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

N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine (PubChem CID 116948977) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
PubChem CID116948977
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
SMILESCNC(c1ccc(C(C)C)cc1)C(C)(C)CN
InChIInChI=1S/C15H26N2/c1-11(2)12-6-8-13(9-7-12)14(17-5)15(3,4)10-16/h6-9,11,14,17H,10,16H2,1-5H3
InChIKeySVWSVFYSVOCMAJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072
1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949961
N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 116950062
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115131859
methylamino-(4-propan-2-ylphenyl)methanethiol
CID 116954450
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66259751
6-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116949062
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116949089
N,2,2-trimethyl-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 116949010

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine?
The IUPAC name of N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine (CID 116948977) is N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine is CNC(c1ccc(C(C)C)cc1)C(C)(C)CN.
What is the InChIKey of N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine?
The InChIKey is SVWSVFYSVOCMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)12-6-8-13(9-7-12)14(17-5)15(3,4)10-16/h6-9,11,14,17H,10,16H2,1-5H3.
What are the key properties of N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine?
N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116948977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).