(butan-2-ylamino)methanol;ethane

C7H19NO — CID 143420847

IUPAC(butan-2-ylamino)methanol;ethane
SMILESCC.CCC(C)NCO
InChIInChI=1S/C5H13NO.C2H6/c1-3-5(2)6-4-7;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyBBDFDWSXYVIYMC-UHFFFAOYSA-N
MW133.24 g/mol
LogP1.35
Rot. Bonds3

About (butan-2-ylamino)methanol;ethane

(butan-2-ylamino)methanol;ethane (PubChem CID 143420847) has the molecular formula C7H19NO and a molecular weight of 133.24 g/mol. Its IUPAC name is (butan-2-ylamino)methanol;ethane.

Molecular Properties

Compound Name(butan-2-ylamino)methanol;ethane
PubChem CID143420847
Molecular FormulaC7H19NO
Molecular Weight133.24 g/mol
Exact Mass133.15
IUPAC Name(butan-2-ylamino)methanol;ethane
SMILESCC.CCC(C)NCO
InChIInChI=1S/C5H13NO.C2H6/c1-3-5(2)6-4-7;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyBBDFDWSXYVIYMC-UHFFFAOYSA-N
XLogP1.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(butan-2-ylamino)ethyl-(2-hydroxyethyl)amino]ethanol
CID 130198825
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354
1-(butan-2-ylamino)but-3-yn-2-one
CID 116556183
1-(butan-2-ylamino)-4-methylpent-4-en-2-one
CID 116556260
1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol
CID 60710637

Frequently Asked Questions

What is the IUPAC name of (butan-2-ylamino)methanol;ethane?
The IUPAC name of (butan-2-ylamino)methanol;ethane (CID 143420847) is (butan-2-ylamino)methanol;ethane.
What is the SMILES notation for (butan-2-ylamino)methanol;ethane?
The canonical SMILES for (butan-2-ylamino)methanol;ethane is CC.CCC(C)NCO.
What is the InChIKey of (butan-2-ylamino)methanol;ethane?
The InChIKey is BBDFDWSXYVIYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C2H6/c1-3-5(2)6-4-7;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of (butan-2-ylamino)methanol;ethane?
(butan-2-ylamino)methanol;ethane has a molecular weight of 133.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (butan-2-ylamino)methanol;ethane is sourced from PubChem (CID 143420847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).