1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol

C14H30N2O2 — CID 107263880

IUPAC1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
SMILESCCCCOCC(O)CN(C)CC1CCN(C)C1
InChIInChI=1S/C14H30N2O2/c1-4-5-8-18-12-14(17)11-16(3)10-13-6-7-15(2)9-13/h13-14,17H,4-12H2,1-3H3
InChIKeyVWRNXJSLJHSCGI-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.05
Rot. Bonds9

About 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol

1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol (PubChem CID 107263880) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
PubChem CID107263880
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
SMILESCCCCOCC(O)CN(C)CC1CCN(C)C1
InChIInChI=1S/C14H30N2O2/c1-4-5-8-18-12-14(17)11-16(3)10-13-6-7-15(2)9-13/h13-14,17H,4-12H2,1-3H3
InChIKeyVWRNXJSLJHSCGI-UHFFFAOYSA-N
XLogP1.05
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
1,1,1-trifluoro-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 63900629
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
4-[2-hydroxy-3-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]propoxy]benzonitrile
CID 111431876
2-ethoxy-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276105
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 167259963
ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63274639
4-(2-butoxyethyl)-1-methylpiperidine
CID 23544400
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol (CID 107263880) is 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol is CCCCOCC(O)CN(C)CC1CCN(C)C1.
What is the InChIKey of 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol?
The InChIKey is VWRNXJSLJHSCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-5-8-18-12-14(17)11-16(3)10-13-6-7-15(2)9-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol?
1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 107263880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).