N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine

C17H32N2O — CID 97052854

IUPACN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N[C@@H]2C[C@@H](OCC)C23CCC3)CC1
InChIInChI=1S/C17H32N2O/c1-3-10-19-11-6-14(7-12-19)18-15-13-16(20-4-2)17(15)8-5-9-17/h14-16,18H,3-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyGPACHYKNZQBJDA-HZPDHXFCSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds6

About N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine

N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine (PubChem CID 97052854) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine
PubChem CID97052854
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N[C@@H]2C[C@@H](OCC)C23CCC3)CC1
InChIInChI=1S/C17H32N2O/c1-3-10-19-11-6-14(7-12-19)18-15-13-16(20-4-2)17(15)8-5-9-17/h14-16,18H,3-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyGPACHYKNZQBJDA-HZPDHXFCSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine with MolForge

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Related Compounds

N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propan-2-ylpiperidin-4-amine
CID 64864609
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide
CID 97232797
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine
CID 115723735
[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 75383308
[4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97232801
3-ethoxy-N-(2-propylcyclopropyl)spiro[3.3]heptan-1-amine
CID 103921918

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine (CID 97052854) is N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine is CCCN1CCC(N[C@@H]2C[C@@H](OCC)C23CCC3)CC1.
What is the InChIKey of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine?
The InChIKey is GPACHYKNZQBJDA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-10-19-11-6-14(7-12-19)18-15-13-16(20-4-2)17(15)8-5-9-17/h14-16,18H,3-13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine?
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 97052854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).