1-[bis(butoxymethyl)amino]propan-1-ol

C13H29NO3 — CID 22138613

IUPAC1-[bis(butoxymethyl)amino]propan-1-ol
SMILESCCCCOCN(COCCCC)C(O)CC
InChIInChI=1S/C13H29NO3/c1-4-7-9-16-11-14(13(15)6-3)12-17-10-8-5-2/h13,15H,4-12H2,1-3H3
InChIKeyNUZICSWJMBMHQM-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.57
Rot. Bonds12

About 1-[bis(butoxymethyl)amino]propan-1-ol

1-[bis(butoxymethyl)amino]propan-1-ol (PubChem CID 22138613) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[bis(butoxymethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[bis(butoxymethyl)amino]propan-1-ol
PubChem CID22138613
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name1-[bis(butoxymethyl)amino]propan-1-ol
SMILESCCCCOCN(COCCCC)C(O)CC
InChIInChI=1S/C13H29NO3/c1-4-7-9-16-11-14(13(15)6-3)12-17-10-8-5-2/h13,15H,4-12H2,1-3H3
InChIKeyNUZICSWJMBMHQM-UHFFFAOYSA-N
XLogP2.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butoxybutane;propane-1,1-diol
CID 87222669
butane-2,3-diol;1-butoxybutane
CID 87169993
(2R)-1-butoxybutan-2-ol
CID 27255938
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
(2S)-1-butoxypropan-2-ol
CID 54289557
butan-2-ol;2-butoxyethanol
CID 118377400
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol
CID 106802733
barium(2+);bis(2-butoxyethanolate)
CID 19598526
pentakis(2-butoxyethanolate);tantalum(5+)
CID 22112128
1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845

Frequently Asked Questions

What is the IUPAC name of 1-[bis(butoxymethyl)amino]propan-1-ol?
The IUPAC name of 1-[bis(butoxymethyl)amino]propan-1-ol (CID 22138613) is 1-[bis(butoxymethyl)amino]propan-1-ol.
What is the SMILES notation for 1-[bis(butoxymethyl)amino]propan-1-ol?
The canonical SMILES for 1-[bis(butoxymethyl)amino]propan-1-ol is CCCCOCN(COCCCC)C(O)CC.
What is the InChIKey of 1-[bis(butoxymethyl)amino]propan-1-ol?
The InChIKey is NUZICSWJMBMHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-4-7-9-16-11-14(13(15)6-3)12-17-10-8-5-2/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[bis(butoxymethyl)amino]propan-1-ol?
1-[bis(butoxymethyl)amino]propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.57, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(butoxymethyl)amino]propan-1-ol is sourced from PubChem (CID 22138613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).