N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine

C10H19NO — CID 63333426

IUPACN-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CC12CCOC2
InChIInChI=1S/C10H19NO/c1-8(2)11-6-9-5-10(9)3-4-12-7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyQHJSCBQYVZQFHV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

About N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine

N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine (PubChem CID 63333426) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine
PubChem CID63333426
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CC12CCOC2
InChIInChI=1S/C10H19NO/c1-8(2)11-6-9-5-10(9)3-4-12-7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyQHJSCBQYVZQFHV-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine
CID 65080666
(2R,3R)-2-(bromomethyl)-5-oxaspiro[2.4]heptane
CID 129372240
[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
CID 124508591
N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine
CID 64516469
1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine
CID 84653555
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
N-[(2-ethyl-2-methylcyclopropyl)methyl]propan-2-amine
CID 62704797
N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine
CID 82934192
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840

Frequently Asked Questions

What is the IUPAC name of N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine (CID 63333426) is N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine is CC(C)NCC1CC12CCOC2.
What is the InChIKey of N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine?
The InChIKey is QHJSCBQYVZQFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)11-6-9-5-10(9)3-4-12-7-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine?
N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 63333426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).