N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride

C17H32Cl2N4O — CID 154924458

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
SMILESCOCC(NC1CCC2(CCNCC2)CC1)c1ccnn1C.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-21-16(5-10-19-21)15(13-22-2)20-14-3-6-17(7-4-14)8-11-18-12-9-17;;/h5,10,14-15,18,20H,3-4,6-9,11-13H2,1-2H3;2*1H
InChIKeyBMZMPVBEAHSLRF-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.85
Rot. Bonds5

About N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride (PubChem CID 154924458) has the molecular formula C17H32Cl2N4O and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
PubChem CID154924458
Molecular FormulaC17H32Cl2N4O
Molecular Weight379.38 g/mol
Exact Mass378.20
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
SMILESCOCC(NC1CCC2(CCNCC2)CC1)c1ccnn1C.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-21-16(5-10-19-21)15(13-22-2)20-14-3-6-17(7-4-14)8-11-18-12-9-17;;/h5,10,14-15,18,20H,3-4,6-9,11-13H2,1-2H3;2*1H
InChIKeyBMZMPVBEAHSLRF-UHFFFAOYSA-N
XLogP2.85
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,4-dithiepan-6-amine
CID 95189955
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,4-dithiepan-6-amine
CID 95189956
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
CID 154897322
N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide
CID 46995765
5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 97188149
2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 46999983
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 124850321
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 135104273
N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 106757083
4-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 106757689
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
CID 154884939

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride (CID 154924458) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride is COCC(NC1CCC2(CCNCC2)CC1)c1ccnn1C.Cl.Cl.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride?
The InChIKey is BMZMPVBEAHSLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O.2ClH/c1-21-16(5-10-19-21)15(13-22-2)20-14-3-6-17(7-4-14)8-11-18-12-9-17;;/h5,10,14-15,18,20H,3-4,6-9,11-13H2,1-2H3;2*1H.
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride has a molecular weight of 379.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride is sourced from PubChem (CID 154924458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).