N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine

C16H28N2O — CID 115204805

IUPACN',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCC(C)Oc1ccc(N(C)CCC(C)(C)CN)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)19-15-8-6-14(7-9-15)18(5)11-10-16(3,4)12-17/h6-9,13H,10-12,17H2,1-5H3
InChIKeyJYAFFNNNRJTOKU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.29
Rot. Bonds7

About N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine

N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine (PubChem CID 115204805) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
PubChem CID115204805
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCC(C)Oc1ccc(N(C)CCC(C)(C)CN)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)19-15-8-6-14(7-9-15)18(5)11-10-16(3,4)12-17/h6-9,13H,10-12,17H2,1-5H3
InChIKeyJYAFFNNNRJTOKU-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204773
N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 65247212
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788
N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204769
3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
CID 115134836
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline
CID 18002902
5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine
CID 117038662
1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol
CID 64821862
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol
CID 18002840
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine (CID 115204805) is N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine is CC(C)Oc1ccc(N(C)CCC(C)(C)CN)cc1.
What is the InChIKey of N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
The InChIKey is JYAFFNNNRJTOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)19-15-8-6-14(7-9-15)18(5)11-10-16(3,4)12-17/h6-9,13H,10-12,17H2,1-5H3.
What are the key properties of N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine?
N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 115204805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).