N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine

C18H34N2O — CID 79901023

IUPACN'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
SMILESNCCCN(C1CCCC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H34N2O/c19-12-6-13-20(16-7-2-3-8-16)17-9-14-21-18(15-17)10-4-1-5-11-18/h16-17H,1-15,19H2
InChIKeyFQDLZATXFMMJLI-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.46
Rot. Bonds5

About N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine

N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine (PubChem CID 79901023) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
PubChem CID79901023
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
SMILESNCCCN(C1CCCC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H34N2O/c19-12-6-13-20(16-7-2-3-8-16)17-9-14-21-18(15-17)10-4-1-5-11-18/h16-17H,1-15,19H2
InChIKeyFQDLZATXFMMJLI-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-(2,6-dioxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897518
N'-cyclobutyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 102875329
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220
3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol
CID 102858387
N'-cyclohexyl-N'-cyclopropylpropane-1,3-diamine
CID 43137536
N'-cyclobutyl-N'-cyclopentylpropane-1,3-diamine
CID 102874978
3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
CID 79906210
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79905989
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine (CID 79901023) is N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine is NCCCN(C1CCCC1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine?
The InChIKey is FQDLZATXFMMJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c19-12-6-13-20(16-7-2-3-8-16)17-9-14-21-18(15-17)10-4-1-5-11-18/h16-17H,1-15,19H2.
What are the key properties of N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine?
N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine has a molecular weight of 294.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 79901023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).