2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine

C14H26N2O — CID 114227674

IUPAC2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine
SMILESCCOC(CN)CCNC1C2C3CCC(C3)C12
InChIInChI=1S/C14H26N2O/c1-2-17-11(8-15)5-6-16-14-12-9-3-4-10(7-9)13(12)14/h9-14,16H,2-8,15H2,1H3
InChIKeyLNDNGPYJZFIHIE-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.37
Rot. Bonds7

About 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine

2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine (PubChem CID 114227674) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine
PubChem CID114227674
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine
SMILESCCOC(CN)CCNC1C2C3CCC(C3)C12
InChIInChI=1S/C14H26N2O/c1-2-17-11(8-15)5-6-16-14-12-9-3-4-10(7-9)13(12)14/h9-14,16H,2-8,15H2,1H3
InChIKeyLNDNGPYJZFIHIE-UHFFFAOYSA-N
XLogP1.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine with MolForge

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Related Compounds

N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine
CID 114227665
2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine
CID 114096311
N'-cyclopropyl-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069693
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine
CID 63070084
3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 106114303
ethane;2-ethoxybutan-1-amine
CID 176948064
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine
CID 102605740
N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114096315
2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
CID 63072558

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine?
The IUPAC name of 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine (CID 114227674) is 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine.
What is the SMILES notation for 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine?
The canonical SMILES for 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine is CCOC(CN)CCNC1C2C3CCC(C3)C12.
What is the InChIKey of 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine?
The InChIKey is LNDNGPYJZFIHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-17-11(8-15)5-6-16-14-12-9-3-4-10(7-9)13(12)14/h9-14,16H,2-8,15H2,1H3.
What are the key properties of 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine?
2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine has a molecular weight of 238.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-(3-tricyclo[3.2.1.02,4]octanyl)butane-1,4-diamine is sourced from PubChem (CID 114227674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).