1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine

C16H36AlNO — CID 139905287

IUPAC1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine
SMILESCCCC(O[Al](CCC)CCC)N(CCC)CCC
InChIInChI=1S/C10H22NO.2C3H7.Al/c1-4-7-10(12)11(8-5-2)9-6-3;2*1-3-2;/h10H,4-9H2,1-3H3;2*1,3H2,2H3;/q-1;;;+1
InChIKeyVJVNDTHOGLJJRC-UHFFFAOYSA-N
MW285.45 g/mol
LogP5.06
Rot. Bonds13

About 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine

1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine (PubChem CID 139905287) has the molecular formula C16H36AlNO and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine
PubChem CID139905287
Molecular FormulaC16H36AlNO
Molecular Weight285.45 g/mol
Exact Mass285.26
IUPAC Name1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine
SMILESCCCC(O[Al](CCC)CCC)N(CCC)CCC
InChIInChI=1S/C10H22NO.2C3H7.Al/c1-4-7-10(12)11(8-5-2)9-6-3;2*1-3-2;/h10H,4-9H2,1-3H3;2*1,3H2,2H3;/q-1;;;+1
InChIKeyVJVNDTHOGLJJRC-UHFFFAOYSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.45
LogP ≤ 55.06
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-[bis(2-methylpropyl)alumanyloxy]-N,N-dibutylbutan-1-amine
CID 139905082
1-dimethylalumanyloxy-N,N-dipropylpropan-1-amine
CID 139905355
1-diethylalumanyloxy-N,N-di(propan-2-yl)butan-1-amine
CID 139905081
1-dioctylalumanyloxy-N,N-diethylpropan-1-amine
CID 139905004
1-dihexylalumanyloxy-N,N-diethylpropan-1-amine
CID 139905384
N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine
CID 139905319
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
N,N-dipropylbutan-2-amine
CID 524229
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
N,N,N',N'-tetrapropyl-1-silylmethanediamine
CID 174173151
4-methyl-3-propan-2-yl-2-N,2-N-dipropylpentane-1,2-diamine
CID 114281886
N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 139905288

Frequently Asked Questions

What is the IUPAC name of 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine?
The IUPAC name of 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine (CID 139905287) is 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine?
The canonical SMILES for 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine is CCCC(O[Al](CCC)CCC)N(CCC)CCC.
What is the InChIKey of 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine?
The InChIKey is VJVNDTHOGLJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO.2C3H7.Al/c1-4-7-10(12)11(8-5-2)9-6-3;2*1-3-2;/h10H,4-9H2,1-3H3;2*1,3H2,2H3;/q-1;;;+1.
What are the key properties of 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine?
1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine has a molecular weight of 285.45 g/mol, XLogP of 5.06, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dipropylalumanyloxy-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 139905287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).