N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine

C18H34N2O — CID 102896432

IUPACN'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1CCC2(CCCC2)O1)C1CCCCC1
InChIInChI=1S/C18H34N2O/c19-13-6-14-20(16-7-2-1-3-8-16)15-17-9-12-18(21-17)10-4-5-11-18/h16-17H,1-15,19H2
InChIKeyBXFOKVSDUACYDF-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.46
Rot. Bonds6

About N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine

N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine (PubChem CID 102896432) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
PubChem CID102896432
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1CCC2(CCCC2)O1)C1CCCCC1
InChIInChI=1S/C18H34N2O/c19-13-6-14-20(16-7-2-1-3-8-16)15-17-9-12-18(21-17)10-4-5-11-18/h16-17H,1-15,19H2
InChIKeyBXFOKVSDUACYDF-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896430
N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
CID 102900988
2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900766
2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102898017
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443
N'-cyclopentyl-N'-(cyclopentylmethyl)propane-1,3-diamine
CID 61344091
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)propan-1-amine
CID 102898863
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 102899394

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine (CID 102896432) is N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine is NCCCN(CC1CCC2(CCCC2)O1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is BXFOKVSDUACYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c19-13-6-14-20(16-7-2-1-3-8-16)15-17-9-12-18(21-17)10-4-5-11-18/h16-17H,1-15,19H2.
What are the key properties of N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 294.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 102896432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).