N-butan-2-yl-3,3-dimethylpentan-1-amine

C11H25N — CID 88992386

IUPACN-butan-2-yl-3,3-dimethylpentan-1-amine
SMILESCCC(C)NCCC(C)(C)CC
InChIInChI=1S/C11H25N/c1-6-10(3)12-9-8-11(4,5)7-2/h10,12H,6-9H2,1-5H3
InChIKeyHQRUJQBJDUEPMI-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds6

About N-butan-2-yl-3,3-dimethylpentan-1-amine

N-butan-2-yl-3,3-dimethylpentan-1-amine (PubChem CID 88992386) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-butan-2-yl-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3,3-dimethylpentan-1-amine
PubChem CID88992386
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-butan-2-yl-3,3-dimethylpentan-1-amine
SMILESCCC(C)NCCC(C)(C)CC
InChIInChI=1S/C11H25N/c1-6-10(3)12-9-8-11(4,5)7-2/h10,12H,6-9H2,1-5H3
InChIKeyHQRUJQBJDUEPMI-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,3-dimethylpentan-1-amine?
The IUPAC name of N-butan-2-yl-3,3-dimethylpentan-1-amine (CID 88992386) is N-butan-2-yl-3,3-dimethylpentan-1-amine.
What is the SMILES notation for N-butan-2-yl-3,3-dimethylpentan-1-amine?
The canonical SMILES for N-butan-2-yl-3,3-dimethylpentan-1-amine is CCC(C)NCCC(C)(C)CC.
What is the InChIKey of N-butan-2-yl-3,3-dimethylpentan-1-amine?
The InChIKey is HQRUJQBJDUEPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-10(3)12-9-8-11(4,5)7-2/h10,12H,6-9H2,1-5H3.
What are the key properties of N-butan-2-yl-3,3-dimethylpentan-1-amine?
N-butan-2-yl-3,3-dimethylpentan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 88992386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).