3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine

C12H26N2O — CID 103163527

IUPAC3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine
SMILESCCOC1CC(CCNC(C)CCN)C1
InChIInChI=1S/C12H26N2O/c1-3-15-12-8-11(9-12)5-7-14-10(2)4-6-13/h10-12,14H,3-9,13H2,1-2H3
InChIKeyDWICDJRUMZTFGQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.52
Rot. Bonds8

About 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine

3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine (PubChem CID 103163527) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine
PubChem CID103163527
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine
SMILESCCOC1CC(CCNC(C)CCN)C1
InChIInChI=1S/C12H26N2O/c1-3-15-12-8-11(9-12)5-7-14-10(2)4-6-13/h10-12,14H,3-9,13H2,1-2H3
InChIKeyDWICDJRUMZTFGQ-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-ethoxycyclobutyl)ethylamino]ethanol
CID 103163445
N-(1-aminopropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164943
N-[2-(3-ethoxycyclobutyl)ethyl]cyclohexanamine
CID 103163432
3-(2-cyclopropylethylamino)butan-1-ol
CID 83178015
N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine
CID 103163452
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine
CID 114013601
4-[(3-ethoxycyclobutyl)amino]butan-2-ol
CID 112554620
N-(5-amino-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 106153157
3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine
CID 154520906
3-N-[2-(methylamino)ethyl]butane-1,3-diamine
CID 90769652
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine
CID 64731424
N-butan-2-yl-2-(3-ethoxycyclobutyl)acetamide
CID 103164593

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine?
The IUPAC name of 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine (CID 103163527) is 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine?
The canonical SMILES for 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine is CCOC1CC(CCNC(C)CCN)C1.
What is the InChIKey of 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine?
The InChIKey is DWICDJRUMZTFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-15-12-8-11(9-12)5-7-14-10(2)4-6-13/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine?
3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine is sourced from PubChem (CID 103163527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).