N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine

C12H23NO — CID 65080666

IUPACN-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CC12CCCOCC2
InChIInChI=1S/C12H23NO/c1-10(2)13-9-11-8-12(11)4-3-6-14-7-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyWYQCZRXOGMHLCD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds3

About N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine

N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine (PubChem CID 65080666) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine
PubChem CID65080666
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CC12CCCOCC2
InChIInChI=1S/C12H23NO/c1-10(2)13-9-11-8-12(11)4-3-6-14-7-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyWYQCZRXOGMHLCD-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine
CID 63333426
7-oxaspiro[2.6]nonan-2-amine
CID 65080551
2-(7-oxaspiro[2.6]nonan-2-yl)ethanamine
CID 83827138
1-(6-oxaspiro[2.5]octan-2-yl)propan-2-amine
CID 84653555
N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine
CID 64516469
N,N-dimethyl-1-(6-oxaspiro[2.5]octan-2-yl)methanamine
CID 131182851
8-oxaspiro[4.5]decan-4-ylmethanol
CID 126975254
2-methyl-N-(spiro[2.6]nonan-2-ylmethyl)propan-1-amine
CID 62714784
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
3-oxaspiro[5.5]undecan-11-ylmethanamine
CID 83906798
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553

Frequently Asked Questions

What is the IUPAC name of N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine (CID 65080666) is N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine is CC(C)NCC1CC12CCCOCC2.
What is the InChIKey of N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine?
The InChIKey is WYQCZRXOGMHLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-9-11-8-12(11)4-3-6-14-7-5-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine?
N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 65080666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).