N-propan-2-yl-N-propoxypropan-2-amine

C9H21NO — CID 19988537

IUPACN-propan-2-yl-N-propoxypropan-2-amine
SMILESCCCON(C(C)C)C(C)C
InChIInChI=1S/C9H21NO/c1-6-7-11-10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyKGKZULBJRBQOFZ-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.45
Rot. Bonds5

About N-propan-2-yl-N-propoxypropan-2-amine

N-propan-2-yl-N-propoxypropan-2-amine (PubChem CID 19988537) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-propan-2-yl-N-propoxypropan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-propoxypropan-2-amine
PubChem CID19988537
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-propan-2-yl-N-propoxypropan-2-amine
SMILESCCCON(C(C)C)C(C)C
InChIInChI=1S/C9H21NO/c1-6-7-11-10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyKGKZULBJRBQOFZ-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propoxypropan-2-amine?
The IUPAC name of N-propan-2-yl-N-propoxypropan-2-amine (CID 19988537) is N-propan-2-yl-N-propoxypropan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-propoxypropan-2-amine?
The canonical SMILES for N-propan-2-yl-N-propoxypropan-2-amine is CCCON(C(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-propoxypropan-2-amine?
The InChIKey is KGKZULBJRBQOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-7-11-10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of N-propan-2-yl-N-propoxypropan-2-amine?
N-propan-2-yl-N-propoxypropan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propoxypropan-2-amine is sourced from PubChem (CID 19988537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).