N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine

C11H18ClN3O — CID 61020728

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCn1c(Cl)cnc1CNCC1CCCOC1
InChIInChI=1S/C11H18ClN3O/c1-15-10(12)6-14-11(15)7-13-5-9-3-2-4-16-8-9/h6,9,13H,2-5,7-8H2,1H3
InChIKeyKLJIJAAZSUUCPL-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.59
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 61020728) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID61020728
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCn1c(Cl)cnc1CNCC1CCCOC1
InChIInChI=1S/C11H18ClN3O/c1-15-10(12)6-14-11(15)7-13-5-9-3-2-4-16-8-9/h6,9,13H,2-5,7-8H2,1H3
InChIKeyKLJIJAAZSUUCPL-UHFFFAOYSA-N
XLogP1.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79579340
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 103275367
N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 78921663
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43088242
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 103660129
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79419740
2-(1-methylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 80682621
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine (CID 61020728) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine is Cn1c(Cl)cnc1CNCC1CCCOC1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is KLJIJAAZSUUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-15-10(12)6-14-11(15)7-13-5-9-3-2-4-16-8-9/h6,9,13H,2-5,7-8H2,1H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 243.74 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 61020728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).