N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine

C15H26N2O — CID 114196061

IUPACN-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(CC2CCC(C)O2)c1C
InChIInChI=1S/C15H26N2O/c1-4-8-16-10-14-7-9-17(13(14)3)11-15-6-5-12(2)18-15/h7,9,12,15-16H,4-6,8,10-11H2,1-3H3
InChIKeyBCHGQPMYCSXSTE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.86
Rot. Bonds6

About N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine

N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 114196061) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
PubChem CID114196061
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(CC2CCC(C)O2)c1C
InChIInChI=1S/C15H26N2O/c1-4-8-16-10-14-7-9-17(13(14)3)11-15-6-5-12(2)18-15/h7,9,12,15-16H,4-6,8,10-11H2,1-3H3
InChIKeyBCHGQPMYCSXSTE-UHFFFAOYSA-N
XLogP2.86
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132818
N-[2-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 103140561
N-[[5-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132827
2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 103140617
2-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 103140559
N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62441582
N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 103140614
N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 103136272
N'-hydroxy-1-[(5-methyloxolan-2-yl)methyl]pyrrole-2-carboximidamide
CID 103139606
3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
CID 103136893
1-[(5-methyloxolan-2-yl)methyl]indole-4-carbothioamide
CID 107919424
1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole
CID 145143851

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine (CID 114196061) is N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine is CCCNCc1ccn(CC2CCC(C)O2)c1C.
What is the InChIKey of N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is BCHGQPMYCSXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-8-16-10-14-7-9-17(13(14)3)11-15-6-5-12(2)18-15/h7,9,12,15-16H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114196061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).