N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride

C14H26Cl2N4O — CID 154919616

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
SMILESCN(Cc1ncc[nH]1)C1CCOC2(CCNCC2)C1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-18(11-13-16-7-8-17-13)12-2-9-19-14(10-12)3-5-15-6-4-14;;/h7-8,12,15H,2-6,9-11H2,1H3,(H,16,17);2*1H
InChIKeyDPHYLTPNTFNVOX-UHFFFAOYSA-N
MW337.30 g/mol
LogP1.99
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride (PubChem CID 154919616) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
PubChem CID154919616
Molecular FormulaC14H26Cl2N4O
Molecular Weight337.30 g/mol
Exact Mass336.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
SMILESCN(Cc1ncc[nH]1)C1CCOC2(CCNCC2)C1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-18(11-13-16-7-8-17-13)12-2-9-19-14(10-12)3-5-15-6-4-14;;/h7-8,12,15H,2-6,9-11H2,1H3,(H,16,17);2*1H
InChIKeyDPHYLTPNTFNVOX-UHFFFAOYSA-N
XLogP1.99
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923559
N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154920630
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923998
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923519
N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124991686
N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70725853
N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70780716
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79899720
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide
CID 64518653
N-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79899995
3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol
CID 114761198

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride (CID 154919616) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride is CN(Cc1ncc[nH]1)C1CCOC2(CCNCC2)C1.Cl.Cl.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The InChIKey is DPHYLTPNTFNVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-18(11-13-16-7-8-17-13)12-2-9-19-14(10-12)3-5-15-6-4-14;;/h7-8,12,15H,2-6,9-11H2,1H3,(H,16,17);2*1H.
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride is sourced from PubChem (CID 154919616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).