N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C18H30N2 — CID 107397656

IUPACN-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H30N2/c1-5-20(12-16-7-6-8-16)17(11-19)18-14(3)9-13(2)10-15(18)4/h9-10,16-17H,5-8,11-12,19H2,1-4H3
InChIKeyAIBFDUVGNZRACZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.73
Rot. Bonds6

About N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 107397656) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID107397656
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H30N2/c1-5-20(12-16-7-6-8-16)17(11-19)18-14(3)9-13(2)10-15(18)4/h9-10,16-17H,5-8,11-12,19H2,1-4H3
InChIKeyAIBFDUVGNZRACZ-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
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1-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-N-methyl-3-azetidinamine
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1-((4-(Propan-2-yl)phenyl)methyl)piperazine
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(2-Amino-1-phenylethyl)diethylamine
CID 3860307
2-(7,8-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amine
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[(2S)-2-(4-isobutylphenyl)propyl]-[(1R,2R)-2-methyl-1-[[[(1S)-2-methyl-1-(methylaminomethyl)propyl]amino]methyl]butyl]amine
CID 24793499
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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 107397656) is N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is CCN(CC1CCC1)C(CN)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is AIBFDUVGNZRACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20(12-16-7-6-8-16)17(11-19)18-14(3)9-13(2)10-15(18)4/h9-10,16-17H,5-8,11-12,19H2,1-4H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107397656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).