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

C17H32N2O — CID 102896430

IUPACN'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C17H32N2O/c18-12-5-13-19(15-6-1-2-7-15)14-16-8-11-17(20-16)9-3-4-10-17/h15-16H,1-14,18H2
InChIKeyNNIOQSXFHBPTOL-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.07
Rot. Bonds6

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

N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine (PubChem CID 102896430) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
PubChem CID102896430
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C17H32N2O/c18-12-5-13-19(15-6-1-2-7-15)14-16-8-11-17(20-16)9-3-4-10-17/h15-16H,1-14,18H2
InChIKeyNNIOQSXFHBPTOL-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896432
N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
CID 102900988
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
2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N'-cyclopentyl-N'-(cyclopentylmethyl)propane-1,3-diamine
CID 61344091
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 102899394
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)propan-1-amine
CID 102898863

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine (CID 102896430) is N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine is NCCCN(CC1CCC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is NNIOQSXFHBPTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c18-12-5-13-19(15-6-1-2-7-15)14-16-8-11-17(20-16)9-3-4-10-17/h15-16H,1-14,18H2.
What are the key properties of N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 3.07, 6 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[4.4]nonan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 102896430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).