N-propan-2-yl-1-prop-2-enoxypropan-1-amine

C9H19NO — CID 87468583

IUPACN-propan-2-yl-1-prop-2-enoxypropan-1-amine
SMILESC=CCOC(CC)NC(C)C
InChIInChI=1S/C9H19NO/c1-5-7-11-9(6-2)10-8(3)4/h5,8-10H,1,6-7H2,2-4H3
InChIKeyKZTYOGCSHCLMPI-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.92
Rot. Bonds6

About N-propan-2-yl-1-prop-2-enoxypropan-1-amine

N-propan-2-yl-1-prop-2-enoxypropan-1-amine (PubChem CID 87468583) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-propan-2-yl-1-prop-2-enoxypropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-prop-2-enoxypropan-1-amine
PubChem CID87468583
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-propan-2-yl-1-prop-2-enoxypropan-1-amine
SMILESC=CCOC(CC)NC(C)C
InChIInChI=1S/C9H19NO/c1-5-7-11-9(6-2)10-8(3)4/h5,8-10H,1,6-7H2,2-4H3
InChIKeyKZTYOGCSHCLMPI-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-prop-2-enoxypropan-1-amine?
The IUPAC name of N-propan-2-yl-1-prop-2-enoxypropan-1-amine (CID 87468583) is N-propan-2-yl-1-prop-2-enoxypropan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-prop-2-enoxypropan-1-amine?
The canonical SMILES for N-propan-2-yl-1-prop-2-enoxypropan-1-amine is C=CCOC(CC)NC(C)C.
What is the InChIKey of N-propan-2-yl-1-prop-2-enoxypropan-1-amine?
The InChIKey is KZTYOGCSHCLMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7-11-9(6-2)10-8(3)4/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of N-propan-2-yl-1-prop-2-enoxypropan-1-amine?
N-propan-2-yl-1-prop-2-enoxypropan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-prop-2-enoxypropan-1-amine is sourced from PubChem (CID 87468583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).