N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine

C18H30N2 — CID 43633047

IUPACN,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
SMILESCc1cccc(C2CC(NCC(C)(C)CN(C)C)C2)c1
InChIInChI=1S/C18H30N2/c1-14-7-6-8-15(9-14)16-10-17(11-16)19-12-18(2,3)13-20(4)5/h6-9,16-17,19H,10-13H2,1-5H3
InChIKeyHHSOCUYQKCPOCH-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.42
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine (PubChem CID 43633047) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
PubChem CID43633047
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
SMILESCc1cccc(C2CC(NCC(C)(C)CN(C)C)C2)c1
InChIInChI=1S/C18H30N2/c1-14-7-6-8-15(9-14)16-10-17(11-16)19-12-18(2,3)13-20(4)5/h6-9,16-17,19H,10-13H2,1-5H3
InChIKeyHHSOCUYQKCPOCH-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 104530190
N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43633039
2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 66178527
3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 80526459
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N,N-dimethyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]acetamide
CID 43635313
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
1-N-[3-(3-chlorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43634275
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine (CID 43633047) is N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine is Cc1cccc(C2CC(NCC(C)(C)CN(C)C)C2)c1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine?
The InChIKey is HHSOCUYQKCPOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-7-6-8-15(9-14)16-10-17(11-16)19-12-18(2,3)13-20(4)5/h6-9,16-17,19H,10-13H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine is sourced from PubChem (CID 43633047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).