(1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine

C17H26N2O2 — CID 97336488

IUPAC(1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1[C@H](C)NC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C17H26N2O2/c1-13-6-9-18-11-16(13)14(2)19-10-15-12-20-17(21-15)7-4-3-5-8-17/h6,9,11,14-15,19H,3-5,7-8,10,12H2,1-2H3/t14-,15-/m0/s1
InChIKeyXBOHKELHVGUCTL-GJZGRUSLSA-N
MW290.41 g/mol
LogP3.12
Rot. Bonds4

About (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine

(1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 97336488) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID97336488
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1[C@H](C)NC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C17H26N2O2/c1-13-6-9-18-11-16(13)14(2)19-10-15-12-20-17(21-15)7-4-3-5-8-17/h6,9,11,14-15,19H,3-5,7-8,10,12H2,1-2H3/t14-,15-/m0/s1
InChIKeyXBOHKELHVGUCTL-GJZGRUSLSA-N
XLogP3.12
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 97333037
(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]ethanamine
CID 97259105
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-methyl-3-pyridinyl)ethyl]oxetan-3-amine
CID 130709602
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 16955838
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 102848150
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 8698737
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methylpropyl)oxamide
CID 18583869
N-[1-(4-methyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115888378
3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol
CID 115888360
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]methanesulfonamide
CID 8698584
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107386044

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine (CID 97336488) is (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccncc1[C@H](C)NC[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is XBOHKELHVGUCTL-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-9-18-11-16(13)14(2)19-10-15-12-20-17(21-15)7-4-3-5-8-17/h6,9,11,14-15,19H,3-5,7-8,10,12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine?
(1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 290.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 97336488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).