(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine

C20H25NO2 — CID 97333037

IUPAC(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cccc2ccccc12
InChIInChI=1S/C20H25NO2/c1-15(18-10-6-8-16-7-2-3-9-19(16)18)21-13-17-14-22-20(23-17)11-4-5-12-20/h2-3,6-10,15,17,21H,4-5,11-14H2,1H3/t15-,17+/m1/s1
InChIKeyDROFNNIBRNZWOO-WBVHZDCISA-N
MW311.43 g/mol
LogP4.18
Rot. Bonds4

About (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine

(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 97333037) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID97333037
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cccc2ccccc12
InChIInChI=1S/C20H25NO2/c1-15(18-10-6-8-16-7-2-3-9-19(16)18)21-13-17-14-22-20(23-17)11-4-5-12-20/h2-3,6-10,15,17,21H,4-5,11-14H2,1H3/t15-,17+/m1/s1
InChIKeyDROFNNIBRNZWOO-WBVHZDCISA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine with MolForge

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Related Compounds

(1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine
CID 97336488
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104787578
(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]ethanamine
CID 97259105
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 164884131
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 75445047
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide
CID 18583918
6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 71623131
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
(1R)-N-[[4-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-naphthalen-1-ylethanamine
CID 66551320
4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 121458586
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine (CID 97333037) is (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine is C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cccc2ccccc12.
What is the InChIKey of (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is DROFNNIBRNZWOO-WBVHZDCISA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(18-10-6-8-16-7-2-3-9-19(16)18)21-13-17-14-22-20(23-17)11-4-5-12-20/h2-3,6-10,15,17,21H,4-5,11-14H2,1H3/t15-,17+/m1/s1.
What are the key properties of (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 311.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 97333037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).