N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine

C14H30N2O — CID 103163452

IUPACN'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine
SMILESCCOC1CC(CCNCCNC(C)(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-17-13-10-12(11-13)6-7-15-8-9-16-14(2,3)4/h12-13,15-16H,5-11H2,1-4H3
InChIKeySGTXLZQOXSGFQC-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.17
Rot. Bonds8

About N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine

N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine (PubChem CID 103163452) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine
PubChem CID103163452
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine
SMILESCCOC1CC(CCNCCNC(C)(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-17-13-10-12(11-13)6-7-15-8-9-16-14(2,3)4/h12-13,15-16H,5-11H2,1-4H3
InChIKeySGTXLZQOXSGFQC-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-ethoxycyclobutyl)ethylamino]ethanol
CID 103163445
N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 79257227
N-[2-(3-ethoxycyclobutyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 103163519
N-[2-(3-ethoxycyclobutyl)ethyl]cyclohexanamine
CID 103163432
3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine
CID 103163527
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 103167285
N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166695
1-tert-butyl-3-(3-ethoxycyclobutyl)urea
CID 105411107
2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide
CID 103164605
4-[[2-(3-ethoxycyclobutyl)ethylcarbamoylamino]methyl]benzoic acid
CID 122011469
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine (CID 103163452) is N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine is CCOC1CC(CCNCCNC(C)(C)C)C1.
What is the InChIKey of N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine?
The InChIKey is SGTXLZQOXSGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-17-13-10-12(11-13)6-7-15-8-9-16-14(2,3)4/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 103163452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).