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

C16H28N2 — CID 116950062

IUPACN,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
SMILESCNC(CC(C)(C)CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H28N2/c1-12(2)13-6-8-14(9-7-13)15(18-5)10-16(3,4)11-17/h6-9,12,15,18H,10-11,17H2,1-5H3
InChIKeyGNHQQAKDOHADJA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.45
Rot. Bonds6

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

N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine (PubChem CID 116950062) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
PubChem CID116950062
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
SMILESCNC(CC(C)(C)CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H28N2/c1-12(2)13-6-8-14(9-7-13)15(18-5)10-16(3,4)11-17/h6-9,12,15,18H,10-11,17H2,1-5H3
InChIKeyGNHQQAKDOHADJA-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950118
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082
1-(1,3-benzodioxol-5-yl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950084
N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116948977
5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 116950122
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
2-tert-butylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64645179
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
1-(4-chlorophenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934580
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63466730

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine?
The IUPAC name of N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine (CID 116950062) is N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine?
The canonical SMILES for N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine is CNC(CC(C)(C)CN)c1ccc(C(C)C)cc1.
What is the InChIKey of N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine?
The InChIKey is GNHQQAKDOHADJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)13-6-8-14(9-7-13)15(18-5)10-16(3,4)11-17/h6-9,12,15,18H,10-11,17H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine?
N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116950062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).