N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine

C14H25N3O — CID 91842915

IUPACN-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCCCc1cc(CN(C)CC2CCCOC2)[nH]n1
InChIInChI=1S/C14H25N3O/c1-3-5-13-8-14(16-15-13)10-17(2)9-12-6-4-7-18-11-12/h8,12H,3-7,9-11H2,1-2H3,(H,15,16)
InChIKeyXIYOGODKVRNSGP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.22
Rot. Bonds6

About N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine

N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine (PubChem CID 91842915) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
PubChem CID91842915
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCCCc1cc(CN(C)CC2CCCOC2)[nH]n1
InChIInChI=1S/C14H25N3O/c1-3-5-13-8-14(16-15-13)10-17(2)9-12-6-4-7-18-11-12/h8,12H,3-7,9-11H2,1-2H3,(H,15,16)
InChIKeyXIYOGODKVRNSGP-UHFFFAOYSA-N
XLogP2.22
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 79764596
5-[[cyclobutylmethyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038791
2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63705981
5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 63711460
N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 63705707
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
3-[[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172657321
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
N-methyl-3-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 63711795
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 102771142
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63713066

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine (CID 91842915) is N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine is CCCc1cc(CN(C)CC2CCCOC2)[nH]n1.
What is the InChIKey of N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
The InChIKey is XIYOGODKVRNSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-5-13-8-14(16-15-13)10-17(2)9-12-6-4-7-18-11-12/h8,12H,3-7,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 91842915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).