N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine

C17H29N3O — CID 107976597

IUPACN-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)cn1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H29N3O/c1-3-9-18-16(15-12-20(2)13-19-15)14-6-10-21-17(11-14)7-4-5-8-17/h12-14,16,18H,3-11H2,1-2H3
InChIKeyKUUUIRAXCOMDGC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.20
Rot. Bonds5

About N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine

N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine (PubChem CID 107976597) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
PubChem CID107976597
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)cn1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H29N3O/c1-3-9-18-16(15-12-20(2)13-19-15)14-6-10-21-17(11-14)7-4-5-8-17/h12-14,16,18H,3-11H2,1-2H3
InChIKeyKUUUIRAXCOMDGC-UHFFFAOYSA-N
XLogP3.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107978055
N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 79914070
N-[(2-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105170255
N-[(3,5-dimethylcyclohexyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107975657
N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105169854
N-[(3-chlorothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016857
N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105010353
N-[(4-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79909990
N-[(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105166315
N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 107977782
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170134

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine (CID 107976597) is N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine is CCCNC(c1cn(C)cn1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The InChIKey is KUUUIRAXCOMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-9-18-16(15-12-20(2)13-19-15)14-6-10-21-17(11-14)7-4-5-8-17/h12-14,16,18H,3-11H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine is sourced from PubChem (CID 107976597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).