N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine

C15H29NO — CID 102951989

IUPACN-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine
SMILESCOCC(NC1CCC12CCCCC2)C(C)C
InChIInChI=1S/C15H29NO/c1-12(2)13(11-17-3)16-14-7-10-15(14)8-5-4-6-9-15/h12-14,16H,4-11H2,1-3H3
InChIKeyZWWKAZNLMLTEGY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine

N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine (PubChem CID 102951989) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine
PubChem CID102951989
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine
SMILESCOCC(NC1CCC12CCCCC2)C(C)C
InChIInChI=1S/C15H29NO/c1-12(2)13(11-17-3)16-14-7-10-15(14)8-5-4-6-9-15/h12-14,16H,4-11H2,1-3H3
InChIKeyZWWKAZNLMLTEGY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
CID 102951950
N-(2-methoxyethyl)-2-(spiro[3.5]nonan-3-ylamino)propanamide
CID 102952314
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
CID 65047702
N-(1-cyclopropylpropan-2-yl)spiro[3.5]nonan-3-amine
CID 102951940
N-pentan-2-ylspiro[3.5]nonan-3-amine
CID 102951172
(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol
CID 131107125
N-(1-cyclopropylethyl)spiro[3.4]octan-3-amine
CID 130611164
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
CID 102952051
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102952410
N-(1-methoxy-3-methylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 81344120
2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 65049574

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine (CID 102951989) is N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine is COCC(NC1CCC12CCCCC2)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine?
The InChIKey is ZWWKAZNLMLTEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)13(11-17-3)16-14-7-10-15(14)8-5-4-6-9-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine?
N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).