N-[3-(2-methylpropoxy)propyl]pentan-2-amine

C12H27NO — CID 43205843

IUPACN-[3-(2-methylpropoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCCCOCC(C)C
InChIInChI=1S/C12H27NO/c1-5-7-12(4)13-8-6-9-14-10-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyGEXXPWUJXCFBNT-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds9

About N-[3-(2-methylpropoxy)propyl]pentan-2-amine

N-[3-(2-methylpropoxy)propyl]pentan-2-amine (PubChem CID 43205843) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]pentan-2-amine
PubChem CID43205843
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-[3-(2-methylpropoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCCCOCC(C)C
InChIInChI=1S/C12H27NO/c1-5-7-12(4)13-8-6-9-14-10-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyGEXXPWUJXCFBNT-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(2-methylpropoxy)propyl]pentan-2-amine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]pentan-2-amine (CID 43205843) is N-[3-(2-methylpropoxy)propyl]pentan-2-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]pentan-2-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]pentan-2-amine is CCCC(C)NCCCOCC(C)C.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]pentan-2-amine?
The InChIKey is GEXXPWUJXCFBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-12(4)13-8-6-9-14-10-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N-[3-(2-methylpropoxy)propyl]pentan-2-amine?
N-[3-(2-methylpropoxy)propyl]pentan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]pentan-2-amine is sourced from PubChem (CID 43205843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).