1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol

C10H24N2O2 — CID 123595558

IUPAC1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol
SMILESCCCN(CC(O)COC)CN(C)C
InChIInChI=1S/C10H24N2O2/c1-5-6-12(9-11(2)3)7-10(13)8-14-4/h10,13H,5-9H2,1-4H3
InChIKeyPBLICCRJMVEGRG-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.22
Rot. Bonds8

About 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol

1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol (PubChem CID 123595558) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol
PubChem CID123595558
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol
SMILESCCCN(CC(O)COC)CN(C)C
InChIInChI=1S/C10H24N2O2/c1-5-6-12(9-11(2)3)7-10(13)8-14-4/h10,13H,5-9H2,1-4H3
InChIKeyPBLICCRJMVEGRG-UHFFFAOYSA-N
XLogP0.22
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethyl-propylamino]-3-methoxypropan-2-ol
CID 63929215
1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol
CID 90250583
1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
CID 79661527
1-[bis(2-phosphanyloxyethyl)amino]-3-methoxypropan-2-ol
CID 54197886
1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
4-(dimethylamino)-1-methoxybutan-2-ol
CID 115345876
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
CID 81113554
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid
CID 82769678

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol (CID 123595558) is 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol is CCCN(CC(O)COC)CN(C)C.
What is the InChIKey of 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol?
The InChIKey is PBLICCRJMVEGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-5-6-12(9-11(2)3)7-10(13)8-14-4/h10,13H,5-9H2,1-4H3.
What are the key properties of 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol?
1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol has a molecular weight of 204.31 g/mol, XLogP of 0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 123595558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).