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

C15H28N2O — CID 102896428

IUPACN'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1CCC2(CCCC2)O1)C1CC1
InChIInChI=1S/C15H28N2O/c16-10-3-11-17(13-4-5-13)12-14-6-9-15(18-14)7-1-2-8-15/h13-14H,1-12,16H2
InChIKeyDPXYOCKZKHTDEX-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.29
Rot. Bonds6

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

N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine (PubChem CID 102896428) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
PubChem CID102896428
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1CCC2(CCCC2)O1)C1CC1
InChIInChI=1S/C15H28N2O/c16-10-3-11-17(13-4-5-13)12-14-6-9-15(18-14)7-1-2-8-15/h13-14H,1-12,16H2
InChIKeyDPXYOCKZKHTDEX-UHFFFAOYSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine (CID 102896428) is N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine is NCCCN(CC1CCC2(CCCC2)O1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is DPXYOCKZKHTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-10-3-11-17(13-4-5-13)12-14-6-9-15(18-14)7-1-2-8-15/h13-14H,1-12,16H2.
What are the key properties of N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine?
N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 252.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 102896428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).