2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol

C14H30N2O2 — CID 64790469

IUPAC2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(C)CCCOC)C1CC1
InChIInChI=1S/C14H30N2O2/c1-4-8-15-14(12-17,13-6-7-13)11-16(2)9-5-10-18-3/h13,15,17H,4-12H2,1-3H3
InChIKeyGDWKNIXOAXAJCN-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.10
Rot. Bonds11

About 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol

2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol (PubChem CID 64790469) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol
PubChem CID64790469
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(C)CCCOC)C1CC1
InChIInChI=1S/C14H30N2O2/c1-4-8-15-14(12-17,13-6-7-13)11-16(2)9-5-10-18-3/h13,15,17H,4-12H2,1-3H3
InChIKeyGDWKNIXOAXAJCN-UHFFFAOYSA-N
XLogP1.10
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993
2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol
CID 102998387
2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol
CID 64827166
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64791568
2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64797922
2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
CID 106808842
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64796214
3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64797055
2-cyclopropyl-3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825822
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64798182
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propan-1-ol
CID 64790825
2-cyclopropyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propylamino)propan-1-ol
CID 64789493

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol (CID 64790469) is 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol is CCCNC(CO)(CN(C)CCCOC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol?
The InChIKey is GDWKNIXOAXAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-8-15-14(12-17,13-6-7-13)11-16(2)9-5-10-18-3/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 1.10, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64790469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).