1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol

C14H30N2O2 — CID 107263150

IUPAC1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol
SMILESCCCCOCC(O)CNCC1(N(C)C)CCC1
InChIInChI=1S/C14H30N2O2/c1-4-5-9-18-11-13(17)10-15-12-14(16(2)3)7-6-8-14/h13,15,17H,4-12H2,1-3H3
InChIKeyRUPSTJIEAHSUTK-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.24
Rot. Bonds10

About 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol

1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol (PubChem CID 107263150) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol
PubChem CID107263150
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol
SMILESCCCCOCC(O)CNCC1(N(C)C)CCC1
InChIInChI=1S/C14H30N2O2/c1-4-5-9-18-11-13(17)10-15-12-14(16(2)3)7-6-8-14/h13,15,17H,4-12H2,1-3H3
InChIKeyRUPSTJIEAHSUTK-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.24
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

1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
CID 105416659
1-butoxy-3-[[1-(hydroxymethyl)cyclobutyl]amino]propan-2-ol
CID 107263123
(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
CID 83120398
3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100411
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
4-[(3-butoxy-2-hydroxypropyl)amino]-1-methoxybutan-2-ol
CID 106246483
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-butoxy-3-(prop-2-enylamino)propan-2-ol
CID 107262418
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol (CID 107263150) is 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol is CCCCOCC(O)CNCC1(N(C)C)CCC1.
What is the InChIKey of 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol?
The InChIKey is RUPSTJIEAHSUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-5-9-18-11-13(17)10-15-12-14(16(2)3)7-6-8-14/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol?
1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol is sourced from PubChem (CID 107263150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).