N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine

C18H36N2O — CID 114621200

IUPACN'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
SMILESCC1(C)CC(N(CCCN)C2CCCCCC2)C(C)(C)O1
InChIInChI=1S/C18H36N2O/c1-17(2)14-16(18(3,4)21-17)20(13-9-12-19)15-10-7-5-6-8-11-15/h15-16H,5-14,19H2,1-4H3
InChIKeyGQYZDLDOSKENSM-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.71
Rot. Bonds5

About N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine

N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine (PubChem CID 114621200) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
PubChem CID114621200
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
SMILESCC1(C)CC(N(CCCN)C2CCCCCC2)C(C)(C)O1
InChIInChI=1S/C18H36N2O/c1-17(2)14-16(18(3,4)21-17)20(13-9-12-19)15-10-7-5-6-8-11-15/h15-16H,5-14,19H2,1-4H3
InChIKeyGQYZDLDOSKENSM-UHFFFAOYSA-N
XLogP3.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol
CID 114623867
2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 104940294
N'-cyclohexyl-N'-cyclopropylpropane-1,3-diamine
CID 43137536
N'-cyclobutyl-N'-cyclopentylpropane-1,3-diamine
CID 102874978
N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine
CID 114624051
N-ethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 114621879
N-ethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-amine
CID 79927858
N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901023
3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
CID 114621228
N-(3-aminopropyl)-N-cyclopentyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476059
N',N'-dicyclopentylethane-1,2-diamine
CID 20816831
N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
CID 114621224

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine (CID 114621200) is N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine is CC1(C)CC(N(CCCN)C2CCCCCC2)C(C)(C)O1.
What is the InChIKey of N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
The InChIKey is GQYZDLDOSKENSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(2)14-16(18(3,4)21-17)20(13-9-12-19)15-10-7-5-6-8-11-15/h15-16H,5-14,19H2,1-4H3.
What are the key properties of N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 114621200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).