ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol

C20H43N3O — CID 170569478

IUPACethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol
SMILESCC.CC(C)N(C)CCN(C)CCN1CCC2(CC1)CC(CO)C2
InChIInChI=1S/C18H37N3O.C2H6/c1-16(2)20(4)11-9-19(3)10-12-21-7-5-18(6-8-21)13-17(14-18)15-22;1-2/h16-17,22H,5-15H2,1-4H3;1-2H3
InChIKeyKGUUXFPMQFPQDN-UHFFFAOYSA-N
MW341.58 g/mol
LogP2.77
Rot. Bonds8

About ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol

ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol (PubChem CID 170569478) has the molecular formula C20H43N3O and a molecular weight of 341.58 g/mol. Its IUPAC name is ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol.

Molecular Properties

Compound Nameethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol
PubChem CID170569478
Molecular FormulaC20H43N3O
Molecular Weight341.58 g/mol
Exact Mass341.34
IUPAC Nameethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol
SMILESCC.CC(C)N(C)CCN(C)CCN1CCC2(CC1)CC(CO)C2
InChIInChI=1S/C18H37N3O.C2H6/c1-16(2)20(4)11-9-19(3)10-12-21-7-5-18(6-8-21)13-17(14-18)15-22;1-2/h16-17,22H,5-15H2,1-4H3;1-2H3
InChIKeyKGUUXFPMQFPQDN-UHFFFAOYSA-N
XLogP2.77
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane
CID 144959325
N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide
CID 166466813
7-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(propan-2-yloxymethyl)-7-azaspiro[3.5]nonane
CID 175636242
N,N-dimethyl-2-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)ethanamine
CID 176824106
2-[2-hydroxyethyl-[2-[methyl(2-piperidin-1-ylethyl)amino]ethyl]amino]ethanol
CID 139832270
2-ethyl-7-(2-methoxyethyl)-7-azaspiro[3.5]nonane
CID 177319164
(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)methanol
CID 162704145
2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol
CID 118891624
[1-[2-(diethylamino)ethyl]piperidin-4-yl]methanol
CID 62020074
ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176935759
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525

Frequently Asked Questions

What is the IUPAC name of ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol?
The IUPAC name of ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol (CID 170569478) is ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol.
What is the SMILES notation for ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol?
The canonical SMILES for ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol is CC.CC(C)N(C)CCN(C)CCN1CCC2(CC1)CC(CO)C2.
What is the InChIKey of ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol?
The InChIKey is KGUUXFPMQFPQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O.C2H6/c1-16(2)20(4)11-9-19(3)10-12-21-7-5-18(6-8-21)13-17(14-18)15-22;1-2/h16-17,22H,5-15H2,1-4H3;1-2H3.
What are the key properties of ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol?
ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol has a molecular weight of 341.58 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[7-[2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]ethyl]-7-azaspiro[3.5]nonan-2-yl]methanol is sourced from PubChem (CID 170569478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).