N-pentan-2-yloxypropan-1-amine

C8H19NO — CID 123729238

IUPACN-pentan-2-yloxypropan-1-amine
SMILESCCCNOC(C)CCC
InChIInChI=1S/C8H19NO/c1-4-6-8(3)10-9-7-5-2/h8-9H,4-7H2,1-3H3
InChIKeyFCOVPKNYMBZQCV-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.11
Rot. Bonds6

About N-pentan-2-yloxypropan-1-amine

N-pentan-2-yloxypropan-1-amine (PubChem CID 123729238) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-pentan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-pentan-2-yloxypropan-1-amine
PubChem CID123729238
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-pentan-2-yloxypropan-1-amine
SMILESCCCNOC(C)CCC
InChIInChI=1S/C8H19NO/c1-4-6-8(3)10-9-7-5-2/h8-9H,4-7H2,1-3H3
InChIKeyFCOVPKNYMBZQCV-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yloxypropan-1-amine?
The IUPAC name of N-pentan-2-yloxypropan-1-amine (CID 123729238) is N-pentan-2-yloxypropan-1-amine.
What is the SMILES notation for N-pentan-2-yloxypropan-1-amine?
The canonical SMILES for N-pentan-2-yloxypropan-1-amine is CCCNOC(C)CCC.
What is the InChIKey of N-pentan-2-yloxypropan-1-amine?
The InChIKey is FCOVPKNYMBZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-6-8(3)10-9-7-5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of N-pentan-2-yloxypropan-1-amine?
N-pentan-2-yloxypropan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yloxypropan-1-amine is sourced from PubChem (CID 123729238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).