3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine

C17H33NO — CID 65169180

IUPAC3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine
SMILESCCCC(CC)NC1CC(OCC)C12CCCCC2
InChIInChI=1S/C17H33NO/c1-4-10-14(5-2)18-15-13-16(19-6-3)17(15)11-8-7-9-12-17/h14-16,18H,4-13H2,1-3H3
InChIKeyNHNVUYMWUZJFGJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.28
Rot. Bonds7

About 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine

3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine (PubChem CID 65169180) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine
PubChem CID65169180
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine
SMILESCCCC(CC)NC1CC(OCC)C12CCCCC2
InChIInChI=1S/C17H33NO/c1-4-10-14(5-2)18-15-13-16(19-6-3)17(15)11-8-7-9-12-17/h14-16,18H,4-13H2,1-3H3
InChIKeyNHNVUYMWUZJFGJ-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
CID 104980931
3-ethoxy-2-ethyl-N-hexan-3-yl-2-methylcyclobutan-1-amine
CID 65169181
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 65167790
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
CID 106344164
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865425

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine (CID 65169180) is 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine is CCCC(CC)NC1CC(OCC)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine?
The InChIKey is NHNVUYMWUZJFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-10-14(5-2)18-15-13-16(19-6-3)17(15)11-8-7-9-12-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine?
3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).