N-butyl-2-methylpentan-2-amine

C10H23N — CID 57013843

IUPACN-butyl-2-methylpentan-2-amine
SMILESCCCCNC(C)(C)CCC
InChIInChI=1S/C10H23N/c1-5-7-9-11-10(3,4)8-6-2/h11H,5-9H2,1-4H3
InChIKeyZRVJNMZHHALBIB-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.95
Rot. Bonds6

About N-butyl-2-methylpentan-2-amine

N-butyl-2-methylpentan-2-amine (PubChem CID 57013843) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N-butyl-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-butyl-2-methylpentan-2-amine
PubChem CID57013843
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN-butyl-2-methylpentan-2-amine
SMILESCCCCNC(C)(C)CCC
InChIInChI=1S/C10H23N/c1-5-7-9-11-10(3,4)8-6-2/h11H,5-9H2,1-4H3
InChIKeyZRVJNMZHHALBIB-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylpentan-2-amine?
The IUPAC name of N-butyl-2-methylpentan-2-amine (CID 57013843) is N-butyl-2-methylpentan-2-amine.
What is the SMILES notation for N-butyl-2-methylpentan-2-amine?
The canonical SMILES for N-butyl-2-methylpentan-2-amine is CCCCNC(C)(C)CCC.
What is the InChIKey of N-butyl-2-methylpentan-2-amine?
The InChIKey is ZRVJNMZHHALBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-5-7-9-11-10(3,4)8-6-2/h11H,5-9H2,1-4H3.
What are the key properties of N-butyl-2-methylpentan-2-amine?
N-butyl-2-methylpentan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylpentan-2-amine is sourced from PubChem (CID 57013843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).