1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine

C10H24N2O2 — CID 166955876

IUPAC1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
SMILESCCC(N)COC(C)(C)OCC(C)N
InChIInChI=1S/C10H24N2O2/c1-5-9(12)7-14-10(3,4)13-6-8(2)11/h8-9H,5-7,11-12H2,1-4H3
InChIKeyIHFJKOYYKKGOIF-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.84
Rot. Bonds7

About 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine

1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine (PubChem CID 166955876) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
PubChem CID166955876
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
SMILESCCC(N)COC(C)(C)OCC(C)N
InChIInChI=1S/C10H24N2O2/c1-5-9(12)7-14-10(3,4)13-6-8(2)11/h8-9H,5-7,11-12H2,1-4H3
InChIKeyIHFJKOYYKKGOIF-UHFFFAOYSA-N
XLogP0.84
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
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

(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine
CID 172681009
(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139026390
1-(2-methoxybutan-2-yloxy)butan-2-amine
CID 137419185
3-(2-aminopropoxy)-3-methylbutan-1-amine
CID 139317825
(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine
CID 97302135
(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol
CID 167005628
2-aminobutyl 2-methylpropanoate
CID 123412425
1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
CID 155605635
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine
CID 140632419
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine?
The IUPAC name of 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine (CID 166955876) is 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine.
What is the SMILES notation for 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine?
The canonical SMILES for 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine is CCC(N)COC(C)(C)OCC(C)N.
What is the InChIKey of 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine?
The InChIKey is IHFJKOYYKKGOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-5-9(12)7-14-10(3,4)13-6-8(2)11/h8-9H,5-7,11-12H2,1-4H3.
What are the key properties of 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine?
1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine has a molecular weight of 204.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine is sourced from PubChem (CID 166955876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).