1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine

C14H32AlNO — CID 139905081

IUPAC1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine
SMILESCCCC(O[Al](CC)CC)N(C(C)C)C(C)C
InChIInChI=1S/C10H22NO.2C2H5.Al/c1-6-7-10(12)11(8(2)3)9(4)5;2*1-2;/h8-10H,6-7H2,1-5H3;2*1H2,2H3;/q-1;;;+1
InChIKeyNZOVRFQTGUVUOJ-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.28
Rot. Bonds9

About 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine

1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine (PubChem CID 139905081) has the molecular formula C14H32AlNO and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine
PubChem CID139905081
Molecular FormulaC14H32AlNO
Molecular Weight257.40 g/mol
Exact Mass257.23
IUPAC Name1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine
SMILESCCCC(O[Al](CC)CC)N(C(C)C)C(C)C
InChIInChI=1S/C10H22NO.2C2H5.Al/c1-6-7-10(12)11(8(2)3)9(4)5;2*1-2;/h8-10H,6-7H2,1-5H3;2*1H2,2H3;/q-1;;;+1
InChIKeyNZOVRFQTGUVUOJ-UHFFFAOYSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
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

1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine
CID 139905287
1-[bis(2-methylpropyl)alumanyloxy]-N,N-dibutylbutan-1-amine
CID 139905082
2-[di(propan-2-yl)amino]pentanal
CID 54207099
CID 23027927
CID 23027927
2-N-methyl-4-N-pentan-2-yl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 166949020
1-methoxybutoxy-bis(2-methylpropyl)alumane
CID 139905152
3-methoxy-2-methylhexane
CID 23384964
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
2-methylpentane
CID 7892
(3R)-3,4-dimethylheptane
CID 59819300
bis(2-methylpentoxy)-oxophosphanium
CID 20836442

Frequently Asked Questions

What is the IUPAC name of 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine?
The IUPAC name of 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine (CID 139905081) is 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine.
What is the SMILES notation for 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine?
The canonical SMILES for 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine is CCCC(O[Al](CC)CC)N(C(C)C)C(C)C.
What is the InChIKey of 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine?
The InChIKey is NZOVRFQTGUVUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO.2C2H5.Al/c1-6-7-10(12)11(8(2)3)9(4)5;2*1-2;/h8-10H,6-7H2,1-5H3;2*1H2,2H3;/q-1;;;+1.
What are the key properties of 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine?
1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine is sourced from PubChem (CID 139905081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).